Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential.
Meylan, William; Boethling, Robert; Aronson, Dallas; Howard, Philip; Tunkel, Jay
2007-09-01
Many screening-level models exist for predicting aerobic biodegradation potential from chemical structure, but anaerobic biodegradation generally has been ignored by modelers. We used a fragment contribution approach to develop a model for predicting biodegradation potential under methanogenic anaerobic conditions. The new model has 37 fragments (substructures) and classifies a substance as either fast or slow, relative to the potential to be biodegraded in the "serum bottle" anaerobic biodegradation screening test (Organization for Economic Cooperation and Development Guideline 311). The model correctly classified 90, 77, and 91% of the chemicals in the training set (n = 169) and two independent validation sets (n = 35 and 23), respectively. Accuracy of predictions of fast and slow degradation was equal for training-set chemicals, but fast-degradation predictions were less accurate than slow-degradation predictions for the validation sets. Analysis of the signs of the fragment coefficients for this and the other (aerobic) Biowin models suggests that in the context of simple group contribution models, the majority of positive and negative structural influences on ultimate degradation are the same for aerobic and methanogenic anaerobic biodegradation.
Directory of Open Access Journals (Sweden)
Lei Jia
Full Text Available Thermostability issue of protein point mutations is a common occurrence in protein engineering. An application which predicts the thermostability of mutants can be helpful for guiding decision making process in protein design via mutagenesis. An in silico point mutation scanning method is frequently used to find "hot spots" in proteins for focused mutagenesis. ProTherm (http://gibk26.bio.kyutech.ac.jp/jouhou/Protherm/protherm.html is a public database that consists of thousands of protein mutants' experimentally measured thermostability. Two data sets based on two differently measured thermostability properties of protein single point mutations, namely the unfolding free energy change (ddG and melting temperature change (dTm were obtained from this database. Folding free energy change calculation from Rosetta, structural information of the point mutations as well as amino acid physical properties were obtained for building thermostability prediction models with informatics modeling tools. Five supervised machine learning methods (support vector machine, random forests, artificial neural network, naïve Bayes classifier, K nearest neighbor and partial least squares regression are used for building the prediction models. Binary and ternary classifications as well as regression models were built and evaluated. Data set redundancy and balancing, the reverse mutations technique, feature selection, and comparison to other published methods were discussed. Rosetta calculated folding free energy change ranked as the most influential features in all prediction models. Other descriptors also made significant contributions to increasing the accuracy of the prediction models.
Structure-Based Turbulence Model
National Research Council Canada - National Science Library
Reynolds, W
2000-01-01
.... Maire carried out this work as part of his Phi) research. During the award period we began to explore ways to simplify the structure-based modeling so that it could be used in repetitive engineering calculations...
Ligand and structure-based classification models for Prediction of P-glycoprotein inhibitors
DEFF Research Database (Denmark)
Klepsch, Freya; Poongavanam, Vasanthanathan; Ecker, Gerhard Franz
2014-01-01
an algorithm based on Euclidean distance. Results show that random forest and SVM performed best for classification of P-gp inhibitors and non-inhibitors, correctly predicting 73/75 % of the external test set compounds. Classification based on the docking experiments using the scoring function Chem...
Ashworth, Justin; Plaisier, Christopher L; Lo, Fang Yin; Reiss, David J; Baliga, Nitin S
2014-01-01
Widespread microbial genome sequencing presents an opportunity to understand the gene regulatory networks of non-model organisms. This requires knowledge of the binding sites for transcription factors whose DNA-binding properties are unknown or difficult to infer. We adapted a protein structure-based method to predict the specificities and putative regulons of homologous transcription factors across diverse species. As a proof-of-concept we predicted the specificities and transcriptional target genes of divergent archaeal feast/famine regulatory proteins, several of which are encoded in the genome of Halobacterium salinarum. This was validated by comparison to experimentally determined specificities for transcription factors in distantly related extremophiles, chromatin immunoprecipitation experiments, and cis-regulatory sequence conservation across eighteen related species of halobacteria. Through this analysis we were able to infer that Halobacterium salinarum employs a divergent local trans-regulatory strategy to regulate genes (carA and carB) involved in arginine and pyrimidine metabolism, whereas Escherichia coli employs an operon. The prediction of gene regulatory binding sites using structure-based methods is useful for the inference of gene regulatory relationships in new species that are otherwise difficult to infer.
Protein structure based prediction of catalytic residues.
Fajardo, J Eduardo; Fiser, Andras
2013-02-22
Worldwide structural genomics projects continue to release new protein structures at an unprecedented pace, so far nearly 6000, but only about 60% of these proteins have any sort of functional annotation. We explored a range of features that can be used for the prediction of functional residues given a known three-dimensional structure. These features include various centrality measures of nodes in graphs of interacting residues: closeness, betweenness and page-rank centrality. We also analyzed the distance of functional amino acids to the general center of mass (GCM) of the structure, relative solvent accessibility (RSA), and the use of relative entropy as a measure of sequence conservation. From the selected features, neural networks were trained to identify catalytic residues. We found that using distance to the GCM together with amino acid type provide a good discriminant function, when combined independently with sequence conservation. Using an independent test set of 29 annotated protein structures, the method returned 411 of the initial 9262 residues as the most likely to be involved in function. The output 411 residues contain 70 of the annotated 111 catalytic residues. This represents an approximately 14-fold enrichment of catalytic residues on the entire input set (corresponding to a sensitivity of 63% and a precision of 17%), a performance competitive with that of other state-of-the-art methods. We found that several of the graph based measures utilize the same underlying feature of protein structures, which can be simply and more effectively captured with the distance to GCM definition. This also has the added the advantage of simplicity and easy implementation. Meanwhile sequence conservation remains by far the most influential feature in identifying functional residues. We also found that due the rapid changes in size and composition of sequence databases, conservation calculations must be recalibrated for specific reference databases.
Mladenović, Milan; Patsilinakos, Alexandros; Pirolli, Adele; Sabatino, Manuela; Ragno, Rino
2017-04-24
Monoamine oxidase B (MAO B) catalyzes the oxidative deamination of aryalkylamines neurotransmitters with concomitant reduction of oxygen to hydrogen peroxide. Consequently, the enzyme's malfunction can induce oxidative damage to mitochondrial DNA and mediates development of Parkinson's disease. Thus, MAO B emerges as a promising target for developing pharmaceuticals potentially useful to treat this vicious neurodegenerative condition. Aiming to contribute to the development of drugs with the reversible mechanism of MAO B inhibition only, herein, an extended in silico-in vitro procedure for the selection of novel MAO B inhibitors is demonstrated, including the following: (1) definition of optimized and validated structure-based three-dimensional (3-D) quantitative structure-activity relationships (QSAR) models derived from available cocrystallized inhibitor-MAO B complexes; (2) elaboration of SAR features for either irreversible or reversible MAO B inhibitors to characterize and improve coumarin-based inhibitor activity (Protein Data Bank ID: 2V61 ) as the most potent reversible lead compound; (3) definition of structure-based (SB) and ligand-based (LB) alignment rule assessments by which virtually any untested potential MAO B inhibitor might be evaluated; (4) predictive ability validation of the best 3-D QSAR model through SB/LB modeling of four coumarin-based external test sets (267 compounds); (5) design and SB/LB alignment of novel coumarin-based scaffolds experimentally validated through synthesis and biological evaluation in vitro. Due to the wide range of molecular diversity within the 3-D QSAR training set and derived features, the selected N probe-derived 3-D QSAR model proves to be a valuable tool for virtual screening (VS) of novel MAO B inhibitors and a platform for design, synthesis and evaluation of novel active structures. Accordingly, six highly active and selective MAO B inhibitors (picomolar to low nanomolar range of activity) were disclosed as a
Ain, Qurrat Ul; Aleksandrova, Antoniya; Roessler, Florian D; Ballester, Pedro J
2015-01-01
Docking tools to predict whether and how a small molecule binds to a target can be applied if a structural model of such target is available. The reliability of docking depends, however, on the accuracy of the adopted scoring function (SF). Despite intense research over the years, improving the accuracy of SFs for structure-based binding affinity prediction or virtual screening has proven to be a challenging task for any class of method. New SFs based on modern machine-learning regression models, which do not impose a predetermined functional form and thus are able to exploit effectively much larger amounts of experimental data, have recently been introduced. These machine-learning SFs have been shown to outperform a wide range of classical SFs at both binding affinity prediction and virtual screening. The emerging picture from these studies is that the classical approach of using linear regression with a small number of expert-selected structural features can be strongly improved by a machine-learning approach based on nonlinear regression allied with comprehensive data-driven feature selection. Furthermore, the performance of classical SFs does not grow with larger training datasets and hence this performance gap is expected to widen as more training data becomes available in the future. Other topics covered in this review include predicting the reliability of a SF on a particular target class, generating synthetic data to improve predictive performance and modeling guidelines for SF development. WIREs Comput Mol Sci 2015, 5:405-424. doi: 10.1002/wcms.1225 For further resources related to this article, please visit the WIREs website.
Feedback structure based entropy approach for multiple-model estimation
Institute of Scientific and Technical Information of China (English)
Shen-tu Han; Xue Anke; Guo Yunfei
2013-01-01
The variable-structure multiple-model (VSMM) approach, one of the multiple-model (MM) methods, is a popular and effective approach in handling problems with mode uncertainties. The model sequence set adaptation (MSA) is the key to design a better VSMM. However, MSA methods in the literature have big room to improve both theoretically and practically. To this end, we propose a feedback structure based entropy approach that could find the model sequence sets with the smallest size under certain conditions. The filtered data are fed back in real time and can be used by the minimum entropy (ME) based VSMM algorithms, i.e., MEVSMM. Firstly, the full Markov chains are used to achieve optimal solutions. Secondly, the myopic method together with particle filter (PF) and the challenge match algorithm are also used to achieve sub-optimal solutions, a trade-off between practicability and optimality. The numerical results show that the proposed algorithm provides not only refined model sets but also a good robustness margin and very high accuracy.
A structure-based model for the transport of passive scalars in homogeneous turbulent flows
International Nuclear Information System (INIS)
Panagiotou, C.F.; Kassinos, S.C.
2016-01-01
Highlights: • The Interacting Particle Representation Model (IPRM) is extended for passive scalar transport. • We develop a structure-based set of scale equations for the scalar field and couple them to the IPRM. • The complete model is evaluated for several cases of homogeneous deformation with good results. • We outline steps for coupling the new scalar scales to the Algebraic Structure-Based Model (ASBM). - Abstract: A structure-based model has been constructed, for the first time, for the study of passive scalar transport in turbulent flows. The scalar variance and the large-scale scalar gradient variance are proposed as the two turbulence scales needed for closure of the scalar equations in the framework of the Interacting Particle Representation Model (IPRM). The scalar dissipation rate is modeled in terms of the scalar variance and the large-scale enstrophy of the velocity field. Model parameters are defined by matching the decay rates in freely isotropic turbulence. The model is validated for a large number of cases of deformation in both fixed and rotating frames, showing encouraging results. The model shows good agreement with DNS results for the case of pure shear flow in the presence of either transverse or streamwise mean scalar gradient, while it correctly predicts the presence of direct cascade for the passive scalar variance in two dimensional isotropic turbulence.
Azeem, Syeda Maryam; Muwonge, Alecia N; Thakkar, Nehaben; Lam, Kristina W; Frey, Kathleen M
2018-01-01
Resistance to non-nucleoside reverse transcriptase inhibitors (NNRTIs) is a leading cause of HIV treatment failure. Often included in antiviral therapy, NNRTIs are chemically diverse compounds that bind an allosteric pocket of enzyme target reverse transcriptase (RT). Several new NNRTIs incorporate flexibility in order to compensate for lost interactions with amino acid conferring mutations in RT. Unfortunately, even successful inhibitors such as diarylpyrimidine (DAPY) inhibitor rilpivirine are affected by mutations in RT that confer resistance. In order to aid drug design efforts, it would be efficient and cost effective to pre-evaluate NNRTI compounds in development using a structure-based computational approach. As proof of concept, we applied a residue scan and molecular dynamics strategy using RT crystal structures to predict mutations that confer resistance to DAPYs rilpivirine, etravirine, and investigational microbicide dapivirine. Our predictive values, changes in affinity and stability, are correlative with fold-resistance data for several RT mutants. Consistent with previous studies, mutation K101P is predicted to confer high-level resistance to DAPYs. These findings were further validated using structural analysis, molecular dynamics, and an enzymatic reverse transcription assay. Our results confirm that changes in affinity and stability for mutant complexes are predictive parameters of resistance as validated by experimental and clinical data. In future work, we believe that this computational approach may be useful to predict resistance mutations for inhibitors in development. Published by Elsevier Inc.
Li, Sha Sha; Li, Bao Qiong; Liu, Jin Jin; Lu, Shao Hua; Zhai, Hong Lin
2018-04-20
Circular dichroism (CD) spectroscopy is a widely used technique for the evaluation of protein secondary structures that has a significant impact for the understanding of molecular biology. However, the quantitative analysis of protein secondary structures based on CD spectra is still a hard work due to the serious overlap of the spectra corresponding to different structural motifs. Here, Tchebichef image moment (TM) approach is introduced for the first time, which can effectively extract the chemical features in CD spectra for the quantitative analysis of protein secondary structures. The proposed approach was applied to analyze reference set. and the obtained results were evaluated by the strict statistical parameters such as correlation coefficient, cross-validation correlation coefficient and root mean squared error. Compared with several specialized prediction methods, TM approach provided satisfactory results, especially for turns and unordered structures. Our study indicates that TM approach can be regarded as a feasible tool for the analysis of the secondary structures of proteins based on CD spectra. An available TMs package is provided and can be used directly for secondary structures prediction. This article is protected by copyright. All rights reserved. © 2018 Wiley Periodicals, Inc.
Discovery of new Gyrase β inhibitors via structure based modeling.
Al-Nadaf, Afaf H; Salah, Sajeda A; Taha, Mutasem O
2018-03-19
Gyrase B is an essential enzyme in the prokaryotes which became an attractive target for antibacterial agents. In our study, we implemented a wide range of docking configurations to dock 120 inhibitors into the in the ATP- binding pocket of Gyrase B enzyme (PDB code: 4GEE). LigandFit docking engines and six scoring functions were utilized in the study. Furthermore, the ligands were docked in their ionized and unionized forms into the hydrous and anhydrous binding pocket. We used docking-based Comparative Intermolecular Contacts Analysis (db-CICA) which is a novel methodology to validate and identify the optimal docking configurations. Three docking configurations were found to achieve self-consistent db-CICA models. The resulting db-CICA models were used to construct corresponding pharmacophoric models that were used to screen the National Cancer Institute (NCI) list of compounds. In-vitro study represents antibacterial activities for twelve hit molecules with the most active having IC 50 of 20.9 μM. Copyright © 2018. Published by Elsevier Ltd.
Modelling of Surface Fault Structures Based on Ground Magnetic Survey
Michels, A.; McEnroe, S. A.
2017-12-01
The island of Leka confines the exposure of the Leka Ophiolite Complex (LOC) which contains mantle and crustal rocks and provides a rare opportunity to study the magnetic properties and response of these formations. The LOC is comprised of five rock units: (1) harzburgite that is strongly deformed, shifting into an increasingly olivine-rich dunite (2) ultramafic cumulates with layers of olivine, chromite, clinopyroxene and orthopyroxene. These cumulates are overlain by (3) metagabbros, which are cut by (4) metabasaltic dykes and (5) pillow lavas (Furnes et al. 1988). Over the course of three field seasons a detailed ground-magnetic survey was made over the island covering all units of the LOC and collecting samples from 109 sites for magnetic measurements. NRM, susceptibility, density and hysteresis properties were measured. In total 66% of samples with a Q value > 1, suggests that the magnetic anomalies should include both induced and remanent components in the model.This Ophiolite originated from a suprasubduction zone near the coast of Laurentia (497±2 Ma), was obducted onto Laurentia (≈460 Ma) and then transferred to Baltica during the Caledonide Orogeny (≈430 Ma). The LOC was faulted, deformed and serpentinized during these events. The gabbro and ultramafic rocks are separated by a normal fault. The dominant magnetic anomaly that crosses the island correlates with this normal fault. There are a series of smaller scale faults that are parallel to this and some correspond to local highs that can be highlighted by a tilt derivative of the magnetic data. These fault boundaries which are well delineated by the distinct magnetic anomalies in both ground and aeromagnetic survey data are likely caused by increased amount of serpentinization of the ultramafic rocks in the fault areas.
The Prediction of Botulinum Toxin Structure Based on in Silico and in Vitro Analysis
Suzuki, Tomonori; Miyazaki, Satoru
2011-01-01
Many of biological system mediated through protein-protein interactions. Knowledge of protein-protein complex structure is required for understanding the function. The determination of huge size and flexible protein-protein complex structure by experimental studies remains difficult, costly and five-consuming, therefore computational prediction of protein structures by homolog modeling and docking studies is valuable method. In addition, MD simulation is also one of the most powerful methods allowing to see the real dynamics of proteins. Here, we predict protein-protein complex structure of botulinum toxin to analyze its property. These bioinformatics methods are useful to report the relation between the flexibility of backbone structure and the activity.
DEFF Research Database (Denmark)
Cunico, Larissa; Hukkerikar, Amol; Ceriani, Roberta
2013-01-01
The paper is a review of the combined group contribution (GC)–atom connectivity index (CI) approachfor prediction of physical and thermodynamic properties of organic chemicals and their mixtures withspecial emphasis on lipids. The combined approach employs carefully selected datasets of different...... dependent, have been developed. For mixtures, properties related to phase equilibria aremodeled with GE-based models (UNIQUAC, UNIFAC, NRTL, and combined UNIFAC-CI method). The col-lected phase equilibrium data for VLE and SLE have been tested for thermodynamic consistency togetherwith a performance...... evaluation of the GE-models. The paper also reviews the role of the databases andthe mathematical and thermodynamic consistency of the measured/estimated data and the predictivenature of the developed models....
Halim, Sobia A.; Khan, Shanza; Khan, Ajmal; Wadood, Abdul; Mabood, Fazal; Hussain, Javid; Al-Harrasi, Ahmed
2017-10-01
Dengue fever is an emerging public health concern, with several million viral infections occur annually, for which no effective therapy currently exist. Non-structural protein 3 (NS-3) Helicase encoded by the dengue virus (DENV) is considered as a potential drug target to design new and effective drugs against dengue. Helicase is involved in unwinding of dengue RNA. This study was conducted to design new NS-3 Helicase inhibitor by in silico ligand- and structure based approaches. Initially ligand-based pharmacophore model was generated that was used to screen a set of 1201474 compounds collected from ZINC Database. The compounds matched with the pharmacophore model were docked into the active site of NS-3 helicase. Based on docking scores and binding interactions, twenty five compounds are suggested to be potential inhibitors of NS3 Helicase. The pharmacokinetic properties of these hits were predicted. The selected hits revealed acceptable ADMET properties. This study identified potential inhibitors of NS-3 Helicase in silico, and can be helpful in the treatment of Dengue.
Jeong, Chan-Seok; Kim, Dongsup
2016-02-24
Elucidating the cooperative mechanism of interconnected residues is an important component toward understanding the biological function of a protein. Coevolution analysis has been developed to model the coevolutionary information reflecting structural and functional constraints. Recently, several methods have been developed based on a probabilistic graphical model called the Markov random field (MRF), which have led to significant improvements for coevolution analysis; however, thus far, the performance of these models has mainly been assessed by focusing on the aspect of protein structure. In this study, we built an MRF model whose graphical topology is determined by the residue proximity in the protein structure, and derived a novel positional coevolution estimate utilizing the node weight of the MRF model. This structure-based MRF method was evaluated for three data sets, each of which annotates catalytic site, allosteric site, and comprehensively determined functional site information. We demonstrate that the structure-based MRF architecture can encode the evolutionary information associated with biological function. Furthermore, we show that the node weight can more accurately represent positional coevolution information compared to the edge weight. Lastly, we demonstrate that the structure-based MRF model can be reliably built with only a few aligned sequences in linear time. The results show that adoption of a structure-based architecture could be an acceptable approximation for coevolution modeling with efficient computation complexity.
eSBMTools 1.0: enhanced native structure-based modeling tools.
Lutz, Benjamin; Sinner, Claude; Heuermann, Geertje; Verma, Abhinav; Schug, Alexander
2013-11-01
Molecular dynamics simulations provide detailed insights into the structure and function of biomolecular systems. Thus, they complement experimental measurements by giving access to experimentally inaccessible regimes. Among the different molecular dynamics techniques, native structure-based models (SBMs) are based on energy landscape theory and the principle of minimal frustration. Typically used in protein and RNA folding simulations, they coarse-grain the biomolecular system and/or simplify the Hamiltonian resulting in modest computational requirements while achieving high agreement with experimental data. eSBMTools streamlines running and evaluating SBM in a comprehensive package and offers high flexibility in adding experimental- or bioinformatics-derived restraints. We present a software package that allows setting up, modifying and evaluating SBM for both RNA and proteins. The implemented workflows include predicting protein complexes based on bioinformatics-derived inter-protein contact information, a standardized setup of protein folding simulations based on the common PDB format, calculating reaction coordinates and evaluating the simulation by free-energy calculations with weighted histogram analysis method or by phi-values. The modules interface with the molecular dynamics simulation program GROMACS. The package is open source and written in architecture-independent Python2. http://sourceforge.net/projects/esbmtools/. alexander.schug@kit.edu. Supplementary data are available at Bioinformatics online.
SMOG@ctbp: simplified deployment of structure-based models in GROMACS.
Noel, Jeffrey K; Whitford, Paul C; Sanbonmatsu, Karissa Y; Onuchic, José N
2010-07-01
Molecular dynamics simulations with coarse-grained and/or simplified Hamiltonians are an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Structure-based Hamiltonians, simplified models developed from the energy landscape theory of protein folding, have become a standard tool for investigating biomolecular dynamics. SMOG@ctbp is an effort to simplify the use of structure-based models. The purpose of the web server is two fold. First, the web tool simplifies the process of implementing a well-characterized structure-based model on a state-of-the-art, open source, molecular dynamics package, GROMACS. Second, the tutorial-like format helps speed the learning curve of those unfamiliar with molecular dynamics. A web tool user is able to upload any multi-chain biomolecular system consisting of standard RNA, DNA and amino acids in PDB format and receive as output all files necessary to implement the model in GROMACS. Both C(alpha) and all-atom versions of the model are available. SMOG@ctbp resides at http://smog.ucsd.edu.
Track structure based modelling of light ion radiation effects on nuclear and mitochondrial DNA
Schmitt, Elke; Ottolenghi, Andrea; Dingfelder, Michael; Friedland, Werner; Kundrat, Pavel; Baiocco, Giorgio
2016-07-01
Space radiation risk assessment is of great importance for manned spaceflights in order to estimate risks and to develop counter-measures to reduce them. Biophysical simulations with PARTRAC can help greatly to improve the understanding of initial biological response to ionizing radiation. Results from modelling radiation quality dependent DNA damage and repair mechanisms up to chromosomal aberrations (e.g. dicentrics) can be used to predict radiation effects depending on the kind of mixed radiation field exposure. Especially dicentric yields can serve as a biomarker for an increased risk due to radiation and hence as an indicator for the effectiveness of the used shielding. PARTRAC [1] is a multi-scale biophysical research MC code for track structure based initial DNA damage and damage response modelling. It integrates physics, radiochemistry, detailed nuclear DNA structure and molecular biology of DNA repair by NHEJ-pathway to assess radiation effects on cellular level [2]. Ongoing experiments with quasi-homogeneously distributed compared to sub-micrometre focused bunches of protons, lithium and carbon ions allow a separation of effects due to DNA damage complexity on nanometre scale from damage clustering on (sub-) micrometre scale [3, 4]. These data provide an unprecedented benchmark for the DNA damage response model in PARTRAC and help understand the mechanisms leading to cell killing and chromosomal aberrations (e.g. dicentrics) induction. A large part of space radiation is due to a mixed ion field of high energy protons and few heavier ions that can be only partly absorbed by the shielding. Radiation damage induced by low-energy ions significantly contributes to the high relative biological efficiency (RBE) of ion beams around Bragg peak regions. For slow light ions the physical cross section data basis in PARTRAC has been extended to investigate radiation quality effects in the Bragg peak region [5]. The resulting range and LET values agree with ICRU data
Directory of Open Access Journals (Sweden)
Wang Yong
2011-07-01
Full Text Available Abstract Background Systematic mutagenesis studies have shown that only a few interface residues termed hot spots contribute significantly to the binding free energy of protein-protein interactions. Therefore, hot spots prediction becomes increasingly important for well understanding the essence of proteins interactions and helping narrow down the search space for drug design. Currently many computational methods have been developed by proposing different features. However comparative assessment of these features and furthermore effective and accurate methods are still in pressing need. Results In this study, we first comprehensively collect the features to discriminate hot spots and non-hot spots and analyze their distributions. We find that hot spots have lower relASA and larger relative change in ASA, suggesting hot spots tend to be protected from bulk solvent. In addition, hot spots have more contacts including hydrogen bonds, salt bridges, and atomic contacts, which favor complexes formation. Interestingly, we find that conservation score and sequence entropy are not significantly different between hot spots and non-hot spots in Ab+ dataset (all complexes. While in Ab- dataset (antigen-antibody complexes are excluded, there are significant differences in two features between hot pots and non-hot spots. Secondly, we explore the predictive ability for each feature and the combinations of features by support vector machines (SVMs. The results indicate that sequence-based feature outperforms other combinations of features with reasonable accuracy, with a precision of 0.69, a recall of 0.68, an F1 score of 0.68, and an AUC of 0.68 on independent test set. Compared with other machine learning methods and two energy-based approaches, our approach achieves the best performance. Moreover, we demonstrate the applicability of our method to predict hot spots of two protein complexes. Conclusion Experimental results show that support vector machine
2011-01-01
Background Systematic mutagenesis studies have shown that only a few interface residues termed hot spots contribute significantly to the binding free energy of protein-protein interactions. Therefore, hot spots prediction becomes increasingly important for well understanding the essence of proteins interactions and helping narrow down the search space for drug design. Currently many computational methods have been developed by proposing different features. However comparative assessment of these features and furthermore effective and accurate methods are still in pressing need. Results In this study, we first comprehensively collect the features to discriminate hot spots and non-hot spots and analyze their distributions. We find that hot spots have lower relASA and larger relative change in ASA, suggesting hot spots tend to be protected from bulk solvent. In addition, hot spots have more contacts including hydrogen bonds, salt bridges, and atomic contacts, which favor complexes formation. Interestingly, we find that conservation score and sequence entropy are not significantly different between hot spots and non-hot spots in Ab+ dataset (all complexes). While in Ab- dataset (antigen-antibody complexes are excluded), there are significant differences in two features between hot pots and non-hot spots. Secondly, we explore the predictive ability for each feature and the combinations of features by support vector machines (SVMs). The results indicate that sequence-based feature outperforms other combinations of features with reasonable accuracy, with a precision of 0.69, a recall of 0.68, an F1 score of 0.68, and an AUC of 0.68 on independent test set. Compared with other machine learning methods and two energy-based approaches, our approach achieves the best performance. Moreover, we demonstrate the applicability of our method to predict hot spots of two protein complexes. Conclusion Experimental results show that support vector machine classifiers are quite
Structure-based prediction of free energy changes of binding of PTP1B inhibitors
Wang, Jing; Ling Chan, Shek; Ramnarayan, Kal
2003-08-01
The goals were (1) to understand the driving forces in the binding of small molecule inhibitors to the active site of PTP1B and (2) to develop a molecular mechanics-based empirical free energy function for compound potency prediction. A set of compounds with known activities was docked onto the active site. The related energy components and molecular surface areas were calculated. The bridging water molecules were identified and their contributions were considered. Linear relationships were explored between the above terms and the binding free energies of compounds derived based on experimental inhibition constants. We found that minimally three terms are required to give rise to a good correlation (0.86) with predictive power in five-group cross-validation test (q2 = 0.70). The dominant terms are the electrostatic energy and non-electrostatic energy stemming from the intra- and intermolecular interactions of solutes and from those of bridging water molecules in complexes.
Structure-based function prediction of the expanding mollusk tyrosinase family
Huang, Ronglian; Li, Li; Zhang, Guofan
2017-11-01
Tyrosinase (Ty) is a common enzyme found in many different animal groups. In our previous study, genome sequencing revealed that the Ty family is expanded in the Pacific oyster ( Crassostrea gigas). Here, we examine the larger number of Ty family members in the Pacific oyster by high-level structure prediction to obtain more information about their function and evolution, especially the unknown role in biomineralization. We verified 12 Ty gene sequences from Crassostrea gigas genome and Pinctada fucata martensii transcriptome. By using phylogenetic analysis of these Tys with functionally known Tys from other molluscan species, eight subgroups were identified (CgTy_s1, CgTy_s2, MolTy_s1, MolTy-s2, MolTy-s3, PinTy-s1, PinTy-s2 and PviTy). Structural data and surface pockets of the dinuclear copper center in the eight subgroups of molluscan Ty were obtained using the latest versions of prediction online servers. Structural comparison with other Ty proteins from the protein databank revealed functionally important residues (HA1, HA2, HA3, HB1, HB2, HB3, Z1-Z9) and their location within these protein structures. The structural and chemical features of these pockets which may related to the substrate binding showed considerable variability among mollusks, which undoubtedly defines Ty substrate binding. Finally, we discuss the potential driving forces of Ty family evolution in mollusks. Based on these observations, we conclude that the Ty family has rapidly evolved as a consequence of substrate adaptation in mollusks.
SMOG 2: A Versatile Software Package for Generating Structure-Based Models.
Noel, Jeffrey K; Levi, Mariana; Raghunathan, Mohit; Lammert, Heiko; Hayes, Ryan L; Onuchic, José N; Whitford, Paul C
2016-03-01
Molecular dynamics simulations with coarse-grained or simplified Hamiltonians have proven to be an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Originally developed in the context of protein folding, structure-based models (SBMs) have since been extended to probe a diverse range of biomolecular processes, spanning from protein and RNA folding to functional transitions in molecular machines. The hallmark feature of a structure-based model is that part, or all, of the potential energy function is defined by a known structure. Within this general class of models, there exist many possible variations in resolution and energetic composition. SMOG 2 is a downloadable software package that reads user-designated structural information and user-defined energy definitions, in order to produce the files necessary to use SBMs with high performance molecular dynamics packages: GROMACS and NAMD. SMOG 2 is bundled with XML-formatted template files that define commonly used SBMs, and it can process template files that are altered according to the needs of each user. This computational infrastructure also allows for experimental or bioinformatics-derived restraints or novel structural features to be included, e.g. novel ligands, prosthetic groups and post-translational/transcriptional modifications. The code and user guide can be downloaded at http://smog-server.org/smog2.
SMOG 2: A Versatile Software Package for Generating Structure-Based Models.
Directory of Open Access Journals (Sweden)
Jeffrey K Noel
2016-03-01
Full Text Available Molecular dynamics simulations with coarse-grained or simplified Hamiltonians have proven to be an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Originally developed in the context of protein folding, structure-based models (SBMs have since been extended to probe a diverse range of biomolecular processes, spanning from protein and RNA folding to functional transitions in molecular machines. The hallmark feature of a structure-based model is that part, or all, of the potential energy function is defined by a known structure. Within this general class of models, there exist many possible variations in resolution and energetic composition. SMOG 2 is a downloadable software package that reads user-designated structural information and user-defined energy definitions, in order to produce the files necessary to use SBMs with high performance molecular dynamics packages: GROMACS and NAMD. SMOG 2 is bundled with XML-formatted template files that define commonly used SBMs, and it can process template files that are altered according to the needs of each user. This computational infrastructure also allows for experimental or bioinformatics-derived restraints or novel structural features to be included, e.g. novel ligands, prosthetic groups and post-translational/transcriptional modifications. The code and user guide can be downloaded at http://smog-server.org/smog2.
Melesina, Jelena; Robaa, Dina; Pierce, Raymond J; Romier, Christophe; Sippl, Wolfgang
2015-11-01
Histone deacetylases (HDACs) are promising epigenetic targets for the treatment of various diseases, including cancer and neurodegenerative disorders. There is evidence that they can also be addressed to treat parasitic infections. Recently, the first X-ray structure of a parasite HDAC was published, Schistosoma mansoni HDAC8, giving structural insights into its inhibition. However, most of the targets from parasites of interest still lack this structural information. Therefore, we prepared homology models of relevant parasitic HDACs and compared them to human and S. mansoni HDACs. The information about known S. mansoni HDAC8 inhibitors and compounds that affect the growth of Trypanosoma, Leishmania and Plasmodium species was used to validate the models by docking and molecular dynamics studies. Our results provide analysis of structural features of parasitic HDACs and should be helpful for selecting promising candidates for biological testing and for structure-based optimisation of parasite-specific inhibitors. Copyright © 2015 Elsevier Inc. All rights reserved.
Predictive modeling of complications.
Osorio, Joseph A; Scheer, Justin K; Ames, Christopher P
2016-09-01
Predictive analytic algorithms are designed to identify patterns in the data that allow for accurate predictions without the need for a hypothesis. Therefore, predictive modeling can provide detailed and patient-specific information that can be readily applied when discussing the risks of surgery with a patient. There are few studies using predictive modeling techniques in the adult spine surgery literature. These types of studies represent the beginning of the use of predictive analytics in spine surgery outcomes. We will discuss the advancements in the field of spine surgery with respect to predictive analytics, the controversies surrounding the technique, and the future directions.
Orenstein, Yaron; Wang, Yuhao; Berger, Bonnie
2016-06-15
Protein-RNA interactions, which play vital roles in many processes, are mediated through both RNA sequence and structure. CLIP-based methods, which measure protein-RNA binding in vivo, suffer from experimental noise and systematic biases, whereas in vitro experiments capture a clearer signal of protein RNA-binding. Among them, RNAcompete provides binding affinities of a specific protein to more than 240 000 unstructured RNA probes in one experiment. The computational challenge is to infer RNA structure- and sequence-based binding models from these data. The state-of-the-art in sequence models, Deepbind, does not model structural preferences. RNAcontext models both sequence and structure preferences, but is outperformed by GraphProt. Unfortunately, GraphProt cannot detect structural preferences from RNAcompete data due to the unstructured nature of the data, as noted by its developers, nor can it be tractably run on the full RNACompete dataset. We develop RCK, an efficient, scalable algorithm that infers both sequence and structure preferences based on a new k-mer based model. Remarkably, even though RNAcompete data is designed to be unstructured, RCK can still learn structural preferences from it. RCK significantly outperforms both RNAcontext and Deepbind in in vitro binding prediction for 244 RNAcompete experiments. Moreover, RCK is also faster and uses less memory, which enables scalability. While currently on par with existing methods in in vivo binding prediction on a small scale test, we demonstrate that RCK will increasingly benefit from experimentally measured RNA structure profiles as compared to computationally predicted ones. By running RCK on the entire RNAcompete dataset, we generate and provide as a resource a set of protein-RNA structure-based models on an unprecedented scale. Software and models are freely available at http://rck.csail.mit.edu/ bab@mit.edu Supplementary data are available at Bioinformatics online. © The Author 2016. Published by
Directory of Open Access Journals (Sweden)
Daryl W Borley
Full Text Available Understanding virus antigenicity is of fundamental importance for the development of better, more cross-reactive vaccines. However, as far as we are aware, no systematic work has yet been conducted using the 3D structure of a virus to identify novel epitopes. Therefore we have extended several existing structural prediction algorithms to build a method for identifying epitopes on the appropriate outer surface of intact virus capsids (which are structurally different from globular proteins in both shape and arrangement of multiple repeated elements and applied it here as a proof of principle concept to the capsid of foot-and-mouth disease virus (FMDV. We have analysed how reliably several freely available structure-based B cell epitope prediction programs can identify already known viral epitopes of FMDV in the context of the viral capsid. To do this we constructed a simple objective metric to measure the sensitivity and discrimination of such algorithms. After optimising the parameters for five methods using an independent training set we used this measure to evaluate the methods. Individually any one algorithm performed rather poorly (three performing better than the other two suggesting that there may be value in developing virus-specific software. Taking a very conservative approach requiring a consensus between all three top methods predicts a number of previously described antigenic residues as potential epitopes on more than one serotype of FMDV, consistent with experimental results. The consensus results identified novel residues as potential epitopes on more than one serotype. These include residues 190-192 of VP2 (not previously determined to be antigenic, residues 69-71 and 193-197 of VP3 spanning the pentamer-pentamer interface, and another region incorporating residues 83, 84 and 169-174 of VP1 (all only previously experimentally defined on serotype A. The computer programs needed to create a semi-automated procedure for carrying out
Archaeological predictive model set.
2015-03-01
This report is the documentation for Task 7 of the Statewide Archaeological Predictive Model Set. The goal of this project is to : develop a set of statewide predictive models to assist the planning of transportation projects. PennDOT is developing t...
Band-structure-based collisional model for electronic excitations in ion-surface collisions
International Nuclear Information System (INIS)
Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.
2005-01-01
Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed
Structure-Based Low-Rank Model With Graph Nuclear Norm Regularization for Noise Removal.
Ge, Qi; Jing, Xiao-Yuan; Wu, Fei; Wei, Zhi-Hui; Xiao, Liang; Shao, Wen-Ze; Yue, Dong; Li, Hai-Bo
2017-07-01
Nonlocal image representation methods, including group-based sparse coding and block-matching 3-D filtering, have shown their great performance in application to low-level tasks. The nonlocal prior is extracted from each group consisting of patches with similar intensities. Grouping patches based on intensity similarity, however, gives rise to disturbance and inaccuracy in estimation of the true images. To address this problem, we propose a structure-based low-rank model with graph nuclear norm regularization. We exploit the local manifold structure inside a patch and group the patches by the distance metric of manifold structure. With the manifold structure information, a graph nuclear norm regularization is established and incorporated into a low-rank approximation model. We then prove that the graph-based regularization is equivalent to a weighted nuclear norm and the proposed model can be solved by a weighted singular-value thresholding algorithm. Extensive experiments on additive white Gaussian noise removal and mixed noise removal demonstrate that the proposed method achieves a better performance than several state-of-the-art algorithms.
Levy, R.; Mcginness, H.
1976-01-01
Investigations were performed to predict the power available from the wind at the Goldstone, California, antenna site complex. The background for power prediction was derived from a statistical evaluation of available wind speed data records at this location and at nearby locations similarly situated within the Mojave desert. In addition to a model for power prediction over relatively long periods of time, an interim simulation model that produces sample wind speeds is described. The interim model furnishes uncorrelated sample speeds at hourly intervals that reproduce the statistical wind distribution at Goldstone. A stochastic simulation model to provide speed samples representative of both the statistical speed distributions and correlations is also discussed.
Lateral strength force of URM structures based on a constitutive model for interface element
Directory of Open Access Journals (Sweden)
A.H. Akhaveissy
Full Text Available This paper presents the numerical implementation of a new proposed interface model for modeling the behavior of mortar joints in masonry walls. Its theoretical framework is fully based on the plasticity theory. The Von Mises criterion is used to simulate the behavior of brick and stone units. The interface laws for contact elements are formulated to simulate the softening behavior of mortar joints under tensile stress; a normal linear cap model is also used to limit compressive stress. The numerical predictions based on the proposed model for the behavior of interface elements correlate very highly with test data. A new explicit formula based on results of proposed interface model is also presented to estimate the strength of unreinforced masonry structures. The closed form solution predicts the ultimate lateral load of unreinforced masonry walls less error percentage than ATC and FEMA-307. Consequently, the proposed closed form solution can be used satisfactorily to analyze unreinforced masonry structures.
Citrate synthase proteins in extremophilic organisms: Studies within a structure-based model
International Nuclear Information System (INIS)
Różycki, Bartosz; Cieplak, Marek
2014-01-01
We study four citrate synthase homodimeric proteins within a structure-based coarse-grained model. Two of these proteins come from thermophilic bacteria, one from a cryophilic bacterium and one from a mesophilic organism; three are in the closed and two in the open conformations. Even though the proteins belong to the same fold, the model distinguishes the properties of these proteins in a way which is consistent with experiments. For instance, the thermophilic proteins are more stable thermodynamically than their mesophilic and cryophilic homologues, which we observe both in the magnitude of thermal fluctuations near the native state and in the kinetics of thermal unfolding. The level of stability correlates with the average coordination number for amino acid contacts and with the degree of structural compactness. The pattern of positional fluctuations along the sequence in the closed conformation is different than in the open conformation, including within the active site. The modes of correlated and anticorrelated movements of pairs of amino acids forming the active site are very different in the open and closed conformations. Taken together, our results show that the precise location of amino acid contacts in the native structure appears to be a critical element in explaining the similarities and differences in the thermodynamic properties, local flexibility, and collective motions of the different forms of the enzyme
Directory of Open Access Journals (Sweden)
Matteo Pappalardo
Full Text Available The human histamine H4 receptor (hH4R, a member of the G-protein coupled receptors (GPCR family, is an increasingly attractive drug target. It plays a key role in many cell pathways and many hH4R ligands are studied for the treatment of several inflammatory, allergic and autoimmune disorders, as well as for analgesic activity. Due to the challenging difficulties in the experimental elucidation of hH4R structure, virtual screening campaigns are normally run on homology based models. However, a wealth of information about the chemical properties of GPCR ligands has also accumulated over the last few years and an appropriate combination of these ligand-based knowledge with structure-based molecular modeling studies emerges as a promising strategy for computer-assisted drug design. Here, two chemoinformatics techniques, the Intelligent Learning Engine (ILE and Iterative Stochastic Elimination (ISE approach, were used to index chemicals for their hH4R bioactivity. An application of the prediction model on external test set composed of more than 160 hH4R antagonists picked from the chEMBL database gave enrichment factor of 16.4. A virtual high throughput screening on ZINC database was carried out, picking ∼ 4000 chemicals highly indexed as H4R antagonists' candidates. Next, a series of 3D models of hH4R were generated by molecular modeling and molecular dynamics simulations performed in fully atomistic lipid membranes. The efficacy of the hH4R 3D models in discrimination between actives and non-actives were checked and the 3D model with the best performance was chosen for further docking studies performed on the focused library. The output of these docking studies was a consensus library of 11 highly active scored drug candidates. Our findings suggest that a sequential combination of ligand-based chemoinformatics approaches with structure-based ones has the potential to improve the success rate in discovering new biologically active GPCR drugs and
Pappalardo, Matteo; Shachaf, Nir; Basile, Livia; Milardi, Danilo; Zeidan, Mouhammed; Raiyn, Jamal; Guccione, Salvatore; Rayan, Anwar
2014-01-01
The human histamine H4 receptor (hH4R), a member of the G-protein coupled receptors (GPCR) family, is an increasingly attractive drug target. It plays a key role in many cell pathways and many hH4R ligands are studied for the treatment of several inflammatory, allergic and autoimmune disorders, as well as for analgesic activity. Due to the challenging difficulties in the experimental elucidation of hH4R structure, virtual screening campaigns are normally run on homology based models. However, a wealth of information about the chemical properties of GPCR ligands has also accumulated over the last few years and an appropriate combination of these ligand-based knowledge with structure-based molecular modeling studies emerges as a promising strategy for computer-assisted drug design. Here, two chemoinformatics techniques, the Intelligent Learning Engine (ILE) and Iterative Stochastic Elimination (ISE) approach, were used to index chemicals for their hH4R bioactivity. An application of the prediction model on external test set composed of more than 160 hH4R antagonists picked from the chEMBL database gave enrichment factor of 16.4. A virtual high throughput screening on ZINC database was carried out, picking ∼ 4000 chemicals highly indexed as H4R antagonists' candidates. Next, a series of 3D models of hH4R were generated by molecular modeling and molecular dynamics simulations performed in fully atomistic lipid membranes. The efficacy of the hH4R 3D models in discrimination between actives and non-actives were checked and the 3D model with the best performance was chosen for further docking studies performed on the focused library. The output of these docking studies was a consensus library of 11 highly active scored drug candidates. Our findings suggest that a sequential combination of ligand-based chemoinformatics approaches with structure-based ones has the potential to improve the success rate in discovering new biologically active GPCR drugs and increase the
Inverse and Predictive Modeling
Energy Technology Data Exchange (ETDEWEB)
Syracuse, Ellen Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-09-27
The LANL Seismo-Acoustic team has a strong capability in developing data-driven models that accurately predict a variety of observations. These models range from the simple – one-dimensional models that are constrained by a single dataset and can be used for quick and efficient predictions – to the complex – multidimensional models that are constrained by several types of data and result in more accurate predictions. Team members typically build models of geophysical characteristics of Earth and source distributions at scales of 1 to 1000s of km, the techniques used are applicable for other types of physical characteristics at an even greater range of scales. The following cases provide a snapshot of some of the modeling work done by the Seismo- Acoustic team at LANL.
Quality assessment of protein model-structures based on structural and functional similarities.
Konopka, Bogumil M; Nebel, Jean-Christophe; Kotulska, Malgorzata
2012-09-21
Experimental determination of protein 3D structures is expensive, time consuming and sometimes impossible. A gap between number of protein structures deposited in the World Wide Protein Data Bank and the number of sequenced proteins constantly broadens. Computational modeling is deemed to be one of the ways to deal with the problem. Although protein 3D structure prediction is a difficult task, many tools are available. These tools can model it from a sequence or partial structural information, e.g. contact maps. Consequently, biologists have the ability to generate automatically a putative 3D structure model of any protein. However, the main issue becomes evaluation of the model quality, which is one of the most important challenges of structural biology. GOBA--Gene Ontology-Based Assessment is a novel Protein Model Quality Assessment Program. It estimates the compatibility between a model-structure and its expected function. GOBA is based on the assumption that a high quality model is expected to be structurally similar to proteins functionally similar to the prediction target. Whereas DALI is used to measure structure similarity, protein functional similarity is quantified using standardized and hierarchical description of proteins provided by Gene Ontology combined with Wang's algorithm for calculating semantic similarity. Two approaches are proposed to express the quality of protein model-structures. One is a single model quality assessment method, the other is its modification, which provides a relative measure of model quality. Exhaustive evaluation is performed on data sets of model-structures submitted to the CASP8 and CASP9 contests. The validation shows that the method is able to discriminate between good and bad model-structures. The best of tested GOBA scores achieved 0.74 and 0.8 as a mean Pearson correlation to the observed quality of models in our CASP8 and CASP9-based validation sets. GOBA also obtained the best result for two targets of CASP8, and
Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.
2016-04-01
Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.
Masso, Majid; Vaisman, Iosif I
2008-09-15
Accurate predictive models for the impact of single amino acid substitutions on protein stability provide insight into protein structure and function. Such models are also valuable for the design and engineering of new proteins. Previously described methods have utilized properties of protein sequence or structure to predict the free energy change of mutants due to thermal (DeltaDeltaG) and denaturant (DeltaDeltaG(H2O)) denaturations, as well as mutant thermal stability (DeltaT(m)), through the application of either computational energy-based approaches or machine learning techniques. However, accuracy associated with applying these methods separately is frequently far from optimal. We detail a computational mutagenesis technique based on a four-body, knowledge-based, statistical contact potential. For any mutation due to a single amino acid replacement in a protein, the method provides an empirical normalized measure of the ensuing environmental perturbation occurring at every residue position. A feature vector is generated for the mutant by considering perturbations at the mutated position and it's ordered six nearest neighbors in the 3-dimensional (3D) protein structure. These predictors of stability change are evaluated by applying machine learning tools to large training sets of mutants derived from diverse proteins that have been experimentally studied and described. Predictive models based on our combined approach are either comparable to, or in many cases significantly outperform, previously published results. A web server with supporting documentation is available at http://proteins.gmu.edu/automute.
Flechsig, Holger
2016-02-01
ATP-binding cassette (ABC) transporters are integral membrane proteins which mediate the exchange of diverse substrates across membranes powered by ATP molecules. Our understanding of their activity is still hampered since the conformational dynamics underlying the operation of such proteins cannot yet be resolved in detailed molecular dynamics studies. Here a coarse grained model which allows to mimic binding of nucleotides and follow subsequent conformational motions of full-length transporter structures in computer simulations is proposed and implemented. To justify its explanatory quality, the model is first applied to the maltose transporter system for which multiple conformations are known and we find that the model predictions agree remarkably well with the experimental data. For the MalK subunit the switching from open to the closed dimer configuration upon ATP binding is reproduced and, moreover, for the full-length maltose transporter, progression from inward-facing to the outward-facing state is correctly obtained. For the heme transporter HmuUV, for which only the free structure could yet be determined, the model was then applied to predict nucleotide-induced conformational motions. Upon binding of ATP-mimicking ligands the structure changed from a conformation in which the nucleotide-binding domains formed an open shape, to a conformation in which they were found in tight contact, while, at the same time, a pronounced rotation of the transmembrane domains was observed. This finding is supported by normal mode analysis, and, comparison with structural data of the homologous vitamin B12 transporter BtuCD suggests that the observed rotation mechanism may contribute a common functional aspect for this class of ABC transporters. Although in HmuuV noticeable rearrangement of essential transmembrane helices was detected, there are no indications from our simulations that ATP binding alone may facilitate propagation of substrate molecules in this transporter
3D QSAR models built on structure-based alignments of Abl tyrosine kinase inhibitors.
Falchi, Federico; Manetti, Fabrizio; Carraro, Fabio; Naldini, Antonella; Maga, Giovanni; Crespan, Emmanuele; Schenone, Silvia; Bruno, Olga; Brullo, Chiara; Botta, Maurizio
2009-06-01
Quality QSAR: A combination of docking calculations and a statistical approach toward Abl inhibitors resulted in a 3D QSAR model, the analysis of which led to the identification of ligand portions important for affinity. New compounds designed on the basis of the model were found to have very good affinity for the target, providing further validation of the model itself.The X-ray crystallographic coordinates of the Abl tyrosine kinase domain in its active, inactive, and Src-like inactive conformations were used as targets to simulate the binding mode of a large series of pyrazolo[3,4-d]pyrimidines (known Abl inhibitors) by means of GOLD software. Receptor-based alignments provided by molecular docking calculations were submitted to a GRID-GOLPE protocol to generate 3D QSAR models. Analysis of the results showed that the models based on the inactive and Src-like inactive conformations had very poor statistical parameters, whereas the sole model based on the active conformation of Abl was characterized by significant internal and external predictive ability. Subsequent analysis of GOLPE PLS pseudo-coefficient contour plots of this model gave us a better understanding of the relationships between structure and affinity, providing suggestions for the next optimization process. On the basis of these results, new compounds were designed according to the hydrophobic and hydrogen bond donor and acceptor contours, and were found to have improved enzymatic and cellular activity with respect to parent compounds. Additional biological assays confirmed the important role of the selected compounds as inhibitors of cell proliferation in leukemia cells.
BozorgMagham, Amir E.; Ross, Shane D.; Schmale, David G.
2013-09-01
The language of Lagrangian coherent structures (LCSs) provides a new means for studying transport and mixing of passive particles advected by an atmospheric flow field. Recent observations suggest that LCSs govern the large-scale atmospheric motion of airborne microorganisms, paving the way for more efficient models and management strategies for the spread of infectious diseases affecting plants, domestic animals, and humans. In addition, having reliable predictions of the timing of hyperbolic LCSs may contribute to improved aerobiological sampling of microorganisms with unmanned aerial vehicles and LCS-based early warning systems. Chaotic atmospheric dynamics lead to unavoidable forecasting errors in the wind velocity field, which compounds errors in LCS forecasting. In this study, we reveal the cumulative effects of errors of (short-term) wind field forecasts on the finite-time Lyapunov exponent (FTLE) fields and the associated LCSs when realistic forecast plans impose certain limits on the forecasting parameters. Objectives of this paper are to (a) quantify the accuracy of prediction of FTLE-LCS features and (b) determine the sensitivity of such predictions to forecasting parameters. Results indicate that forecasts of attracting LCSs exhibit less divergence from the archive-based LCSs than the repelling features. This result is important since attracting LCSs are the backbone of long-lived features in moving fluids. We also show under what circumstances one can trust the forecast results if one merely wants to know if an LCS passed over a region and does not need to precisely know the passage time.
Cultural Resource Predictive Modeling
2017-10-01
CR cultural resource CRM cultural resource management CRPM Cultural Resource Predictive Modeling DoD Department of Defense ESTCP Environmental...resource management ( CRM ) legal obligations under NEPA and the NHPA, military installations need to demonstrate that CRM decisions are based on objective...maxim “one size does not fit all,” and demonstrate that DoD installations have many different CRM needs that can and should be met through a variety
Kim, Soo-Kyung; Fristrup, Peter; Abrol, Ravinder; Goddard, William A
2011-12-27
Histamine receptors (HRs) are excellent drug targets for the treatment of diseases, such as schizophrenia, psychosis, depression, migraine, allergies, asthma, ulcers, and hypertension. Among them, the human H(3) histamine receptor (hH(3)HR) antagonists have been proposed for specific therapeutic applications, including treatment of Alzheimer's disease, attention deficit hyperactivity disorder (ADHD), epilepsy, and obesity. However, many of these drug candidates cause undesired side effects through the cross-reactivity with other histamine receptor subtypes. In order to develop improved selectivity and activity for such treatments, it would be useful to have the three-dimensional structures for all four HRs. We report here the predicted structures of four HR subtypes (H(1), H(2), H(3), and H(4)) using the GEnSeMBLE (GPCR ensemble of structures in membrane bilayer environment) Monte Carlo protocol, sampling ∼35 million combinations of helix packings to predict the 10 most stable packings for each of the four subtypes. Then we used these 10 best protein structures with the DarwinDock Monte Carlo protocol to sample ∼50 000 × 10(20) poses to predict the optimum ligand-protein structures for various agonists and antagonists. We find that E206(5.46) contributes most in binding H(3) selective agonists (5, 6, 7) in agreement with experimental mutation studies. We also find that conserved E5.46/S5.43 in both of hH(3)HR and hH(4)HR are involved in H(3)/ H(4) subtype selectivity. In addition, we find that M378(6.55) in hH(3)HR provides additional hydrophobic interactions different from hH(4)HR (the corresponding amino acid of T323(6.55) in hH(4)HR) to provide additional subtype bias. From these studies, we developed a pharmacophore model based on our predictions for known hH(3)HR selective antagonists in clinical study [ABT-239 1, GSK-189,254 2, PF-3654746 3, and BF2.649 (tiprolisant) 4] that suggests critical selectivity directing elements are: the basic proton
Candidate Prediction Models and Methods
DEFF Research Database (Denmark)
Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Madsen, Henrik
2005-01-01
This document lists candidate prediction models for Work Package 3 (WP3) of the PSO-project called ``Intelligent wind power prediction systems'' (FU4101). The main focus is on the models transforming numerical weather predictions into predictions of power production. The document also outlines...... the possibilities w.r.t. different numerical weather predictions actually available to the project....
Spyrakis, Francesca; Cavasotto, Claudio N
2015-10-01
Structure-based virtual screening is currently an established tool in drug lead discovery projects. Although in the last years the field saw an impressive progress in terms of algorithm development, computational performance, and retrospective and prospective applications in ligand identification, there are still long-standing challenges where further improvement is needed. In this review, we consider the conceptual frame, state-of-the-art and recent developments of three critical "structural" issues in structure-based drug lead discovery: the use of homology modeling to accurately model the binding site when no experimental structures are available, the necessity of accounting for the dynamics of intrinsically flexible systems as proteins, and the importance of considering active site water molecules in lead identification and optimization campaigns. Copyright © 2015 Elsevier Inc. All rights reserved.
Predictive Surface Complexation Modeling
Energy Technology Data Exchange (ETDEWEB)
Sverjensky, Dimitri A. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Earth and Planetary Sciences
2016-11-29
Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO_{2} and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall, my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.
DEFF Research Database (Denmark)
Kim, Soo-Kyung; Fristrup, Peter; Abrol, Ravinder
2011-01-01
applications, including treatment of Alzheimer’s disease, attention deficit hyperactivity disorder (ADHD), epilepsy, and obesity.(1) However, many of these drug candidates cause undesired side effects through the cross-reactivity with other histamine receptor subtypes. In order to develop improved selectivity...... and antagonists. We find that E2065.46 contributes most in binding H3 selective agonists (5, 6, 7) in agreement with experimental mutation studies. We also find that conserved E5.46/S5.43 in both of hH3HR and hH4HR are involved in H3/ H4 subtype selectivity. In addition, we find that M3786.55 in hH3HR provides...... additional hydrophobic interactions different from hH4HR (the corresponding amino acid of T3236.55 in hH4HR) to provide additional subtype bias. From these studies, we developed a pharmacophore model based on our predictions for known hH3HR selective antagonists in clinical study [ABT-239 1, GSK-189,254 2...
Hayashi, Takanori; Matsuzaki, Yuri; Yanagisawa, Keisuke; Ohue, Masahito; Akiyama, Yutaka
2018-05-08
Protein-protein interactions (PPIs) play several roles in living cells, and computational PPI prediction is a major focus of many researchers. The three-dimensional (3D) structure and binding surface are important for the design of PPI inhibitors. Therefore, rigid body protein-protein docking calculations for two protein structures are expected to allow elucidation of PPIs different from known complexes in terms of 3D structures because known PPI information is not explicitly required. We have developed rapid PPI prediction software based on protein-protein docking, called MEGADOCK. In order to fully utilize the benefits of computational PPI predictions, it is necessary to construct a comprehensive database to gather prediction results and their predicted 3D complex structures and to make them easily accessible. Although several databases exist that provide predicted PPIs, the previous databases do not contain a sufficient number of entries for the purpose of discovering novel PPIs. In this study, we constructed an integrated database of MEGADOCK PPI predictions, named MEGADOCK-Web. MEGADOCK-Web provides more than 10 times the number of PPI predictions than previous databases and enables users to conduct PPI predictions that cannot be found in conventional PPI prediction databases. In MEGADOCK-Web, there are 7528 protein chains and 28,331,628 predicted PPIs from all possible combinations of those proteins. Each protein structure is annotated with PDB ID, chain ID, UniProt AC, related KEGG pathway IDs, and known PPI pairs. Additionally, MEGADOCK-Web provides four powerful functions: 1) searching precalculated PPI predictions, 2) providing annotations for each predicted protein pair with an experimentally known PPI, 3) visualizing candidates that may interact with the query protein on biochemical pathways, and 4) visualizing predicted complex structures through a 3D molecular viewer. MEGADOCK-Web provides a huge amount of comprehensive PPI predictions based on
International Nuclear Information System (INIS)
Reddy, G.R.; Mahajan, S.C.; Suzuki, Kohei
1997-01-01
A nuclear reactor building structure consists of shear walls with complex geometry, beams and columns. The complexity of the structure is explained in the section Introduction. Seismic analysis of the complex reactor building structure using the continuum mechanics approach may produce good results but this method is very difficult to apply. Hence, the finite element approach is found to be an useful technique for solving the dynamic equations of the reactor building structure. In this approach, the model which uses finite elements such as brick, plate and shell elements may produce accurate results. However, this model also poses some difficulties which are explained in the section Modeling Techniques. Therefore, seismic analysis of complex structures is generally carried out using a lumped mass beam model. This model is preferred because of its simplicity and economy. Nevertheless, mathematical modeling of a shear wall structure as a beam requires specialized skill and a thorough understanding of the structure. For accurate seismic analysis, it is necessary to model more realistically the stiffness, mass and damping. In linear seismic analysis, modeling of the mass and damping may pose few problems compared to modeling the stiffness. When used to represent a complex structure, the stiffness of the beam is directly related to the shear wall section properties such as area, shear area and moment of inertia. Various beam models which are classified based on the method of stiffness evaluation are also explained under the section Modeling Techniques. In the section Case Studies the accuracy and simplicity of the beam models are explained. Among various beam models, the one which evaluates the stiffness using strain energy equivalence proves to be the simplest and most accurate method for modeling the complex shear wall structure. (author)
Czech Academy of Sciences Publication Activity Database
Vilémová, Monika; Matějíček, Jiří; Mušálek, Radek; Nohava, J.
2012-01-01
Roč. 21, 3-4 (2012), s. 372-382 ISSN 1059-9630 R&D Projects: GA MŠk ME 901 Institutional research plan: CEZ:AV0Z20430508 Keywords : analytical model * elastic modulus * finite element modeling * image analysis * modeling of properties * thermal conductivity * water stabilized plasma Subject RIV: JK - Corrosion ; Surface Treatment of Materials Impact factor: 1.481, year: 2012 http://www.springerlink.com/content/3m24812367315142/fulltext. pdf
Robin J. Tausch
2015-01-01
A theoretically based analytic model of plant growth in single species conifer communities based on the species fully occupying a site and fully using the site resources is introduced. Model derivations result in a single equation simultaneously describes changes over both, different site conditions (or resources available), and over time for each variable for each...
Confidence scores for prediction models
DEFF Research Database (Denmark)
Gerds, Thomas Alexander; van de Wiel, MA
2011-01-01
In medical statistics, many alternative strategies are available for building a prediction model based on training data. Prediction models are routinely compared by means of their prediction performance in independent validation data. If only one data set is available for training and validation,...
Finite element model updating of concrete structures based on imprecise probability
Biswal, S.; Ramaswamy, A.
2017-09-01
Imprecise probability based methods are developed in this study for the parameter estimation, in finite element model updating for concrete structures, when the measurements are imprecisely defined. Bayesian analysis using Metropolis Hastings algorithm for parameter estimation is generalized to incorporate the imprecision present in the prior distribution, in the likelihood function, and in the measured responses. Three different cases are considered (i) imprecision is present in the prior distribution and in the measurements only, (ii) imprecision is present in the parameters of the finite element model and in the measurement only, and (iii) imprecision is present in the prior distribution, in the parameters of the finite element model, and in the measurements. Procedures are also developed for integrating the imprecision in the parameters of the finite element model, in the finite element software Abaqus. The proposed methods are then verified against reinforced concrete beams and prestressed concrete beams tested in our laboratory as part of this study.
Analysis of structures based on a characteristic-strain model of creep
Energy Technology Data Exchange (ETDEWEB)
Bolton, J. [Alstom Power, Newbold Road, Rugby CV21 2NH (United Kingdom)], E-mail: janjohn.bolton@virgin.net
2008-01-15
A companion paper [Bolton J. In: A characteristic-strain model for creep, ECCC/I.Mech.E. conference on creep and fracture in high-temperature components, London, September 2005] describes a creep model based on a constant 'characteristic strain' at any temperature. The present paper discusses the application of such a model, first to simple structures and then to engineering components of general form under steady loading. A basis is proposed for identifying the stress within a structure, or within the critical part of a structure, which can be considered to govern both its overall and local deformations. The concept is similar to skeletal-point stress but is more readily applied to components of any shape. The implementation of the concept of 'structural stress' is discussed in the context of finite-element creep calculations. Consideration is given to the analysis of cracked structures, where very high strains at the crack tip must be accommodated.
Analysis of structures based on a characteristic-strain model of creep
International Nuclear Information System (INIS)
Bolton, J.
2008-01-01
A companion paper [Bolton J. In: A characteristic-strain model for creep, ECCC/I.Mech.E. conference on creep and fracture in high-temperature components, London, September 2005] describes a creep model based on a constant 'characteristic strain' at any temperature. The present paper discusses the application of such a model, first to simple structures and then to engineering components of general form under steady loading. A basis is proposed for identifying the stress within a structure, or within the critical part of a structure, which can be considered to govern both its overall and local deformations. The concept is similar to skeletal-point stress but is more readily applied to components of any shape. The implementation of the concept of 'structural stress' is discussed in the context of finite-element creep calculations. Consideration is given to the analysis of cracked structures, where very high strains at the crack tip must be accommodated
A structurally based analytic model for estimation of biomass and fuel loads of woodland trees
Robin J. Tausch
2009-01-01
Allometric/structural relationships in tree crowns are a consequence of the physical, physiological, and fluid conduction processes of trees, which control the distribution, efficient support, and growth of foliage in the crown. The structural consequences of these processes are used to develop an analytic model based on the concept of branch orders. A set of...
Sanders, M.P.A.; McGuire, R; Roumen, L.; de Esch, I.J.P.; de Vlieg, J; Klomp, J.P.G; de Graaf, C.
2011-01-01
A pharmacophore describes the arrangement of molecular features a ligand must contain to efficaciously bind a receptor. Pharmacophore models are developed to improve molecular understanding of ligand-protein interactions, and can be used as a tool to identify novel compounds that fulfil the
Theoretical model for thin ferroelectric films and the multilayer structures based on them
International Nuclear Information System (INIS)
Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.
2013-01-01
A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data
Theoretical model for thin ferroelectric films and the multilayer structures based on them
Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.
2013-06-01
A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.
Theoretical model for thin ferroelectric films and the multilayer structures based on them
Energy Technology Data Exchange (ETDEWEB)
Starkov, A. S., E-mail: starkov@iue.tuwien.ac.at; Pakhomov, O. V. [St. Petersburg National Research Univeristy ITMO, Institute of Refrigeration and Biotechnologies (Russian Federation); Starkov, I. A. [Vienna University of Technology, Institute for Microelectronics (Austria)
2013-06-15
A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.
Numerical simulation of multi-layer graphene structures based on quantum-chemical model
International Nuclear Information System (INIS)
Kasper, Y; Tuchin, A; Bokova, A; Bityutskaya, L
2016-01-01
The electronic structure of the multi-layer graphene has been studied using the density functional theory (DFT). The dependence of the average interlayer distance on the number of layers ( n = 2 ÷ 6) has been determined. The analysis of the charge redistribution and the electron density of the bi- and three-layer graphene under the external pressure up to 50 GPa has been performed. The model of the interlayer conductivity of compressed multigraphene was offered (paper)
Dynamic crushing of uniform and density graded cellular structures based on the circle arc model
Directory of Open Access Journals (Sweden)
Jianjun Zhang
Full Text Available AbstractA new circle-arc model was established to present the cellular structure. Dynamic response of models with density gradients under constant velocities is investigated by employing Ls-dyna 971. Compared with the uniform models, the quasi-static plateau stress of different layers seems a significant parameter correlated with the deformation mode except for inertia effect when the density gradient is introduced. The impact velocity becomes much more vital on the deformation of the unit cell than the density gradient. The stress at both the impact and stationary sides is investigated in details. Furthermore, the stress-strain curve is compared with the modified shock wave theory. The density gradient does have some remarkable influence on the energy absorption capability, and a certain density gradient is not always beneficial to the energy absorption. Irrespective of the impact velocity, there seems always a critical strain where the energy absorbed by all these specimens could approximate to nearly the same value. So the critical strain-velocity curve is plotted and gives the beneficial area for energy absorption pertinent to density gradients and impact velocity.
Analysis of structures based on a characteristic-strain model of creep
Energy Technology Data Exchange (ETDEWEB)
Bolton, J. [Alstom Power, Newbold Road, Rugby CV21 2NH (United Kingdom)], E-mail: janjohn.bolton@virgin.net
2008-01-15
A companion paper [Bolton J. In: A characteristic-strain model for creep, ECCC/I.Mech.E. conference on creep and fracture in high-temperature components, London, September 2005] describes a creep model based on a constant 'characteristic strain' at any temperature. The present paper discusses the application of such a model, first to simple structures and then to engineering components of general form under steady loading. A basis is proposed for identifying the stress within a structure, or within the critical part of a structure, which can be considered to govern both its overall and local deformations. The concept is similar to skeletal-point stress but is more readily applied to components of any shape. The implementation of the concept of 'structural stress' is discussed in the context of finite-element creep calculations. Consideration is given to the analysis of cracked structures, where very high strains at the crack tip must be accommodated.
Venkatraman, Prasanna; Balakrishnan, Satish; Rao, Shashidhar; Hooda, Yogesh; Pol, Suyog
2009-01-01
Background Proteases play a central role in cellular homeostasis and are responsible for the spatio- temporal regulation of function. Many putative proteases have been recently identified through genomic approaches, leading to a surge in global profiling attempts to characterize their function. Through such efforts and others it has become evident that many proteases play non-traditional roles. Accordingly, the number and the variety of the substrate repertoire of proteases are expected to be much larger than previously assumed. In line with such global profiling attempts, we present here a method for the prediction of natural substrates of endo proteases (human proteases used as an example) by employing short peptide sequences as specificity determinants. Methodology/Principal Findings Our method incorporates specificity determinants unique to individual enzymes and physiologically relevant dual filters namely, solvent accessible surface area-a parameter dependent on protein three-dimensional structure and subcellular localization. By incorporating such hitherto unused principles in prediction methods, a novel ligand docking strategy to mimic substrate binding at the active site of the enzyme, and GO functions, we identify and perform subjective validation on putative substrates of matriptase and highlight new functions of the enzyme. Using relative solvent accessibility to rank order we show how new protease regulatory networks and enzyme cascades can be created. Conclusion We believe that our physiologically relevant computational approach would be a very useful complementary method in the current day attempts to profile proteases (endo proteases in particular) and their substrates. In addition, by using functional annotations, we have demonstrated how normal and unknown functions of a protease can be envisaged. We have developed a network which can be integrated to create a proteolytic world. This network can in turn be extended to integrate other regulatory
DEFF Research Database (Denmark)
Hukkerikar, Amol Shivajirao; Sarup, Bent; Sin, Gürkan
2013-01-01
models. To make the property-data-model analysis fast and efficient, an approach based on the “molecular structure similarity criteria” to identify molecules (mono-functional, bi-functional, etc.) containing specified set of structural parameters (that is, groups) is employed. The method has been applied...
Baig, Mirza Saqib; Kumar, Ashutosh; Siddiqi, Mohammad Imran; Goyal, Neena
2010-01-01
Leishmania donovani dipeptidylcarboxypeptidsae (LdDCP), an angiotensin converting enzyme (ACE) related metallopeptidase has been identified and characterized as a putative drug target for antileishmanial chemotherapy. The kinetic parameters for LdDCP with substrate, Hip-His-Leu were determined as, Km, 4 mM and Vmax, 1.173 μmole/ml/min. Inhibition studies revealed that known ACE inhibitors (captopril and bradykinin potentiating peptide; BPP1) were weak inhibitors for LdDCP as compared to human testicular ACE (htACE) with Ki values of 35.8 nM and 3.9 μM, respectively. Three dimensional model of LdDCP was generated based on crystal structure of Escherichia coli DCP (EcDCP) by means of comparative modeling and assessed using PROSAII, PROCHECK and WHATIF. Captopril docking with htACE, LdDCP and EcDCP and analysis of molecular electrostatic potentials (MEP) suggested that the active site domain of three enzymes has several minor but potentially important structural differences. These differences could be exploited for designing selective inhibitor of LdDCP thereby antileishmanial compounds either by denovo drug design or virtual screening of small molecule databases.
Structure Based Modeling of Small Molecules Binding to the TLR7 by Atomistic Level Simulations
Directory of Open Access Journals (Sweden)
Francesco Gentile
2015-05-01
Full Text Available Toll-Like Receptors (TLR are a large family of proteins involved in the immune system response. Both the activation and the inhibition of these receptors can have positive effects on several diseases, including viral pathologies and cancer, therefore prompting the development of new compounds. In order to provide new indications for the design of Toll-Like Receptor 7 (TLR7-targeting drugs, the mechanism of interaction between the TLR7 and two important classes of agonists (imidazoquinoline and adenine derivatives was investigated through docking and Molecular Dynamics simulations. To perform the computational analysis, a new model for the dimeric form of the receptors was necessary and therefore created. Qualitative and quantitative differences between agonists and inactive compounds were determined. The in silico results were compared with previous experimental observations and employed to define the ligand binding mechanism of TLR7.
Lee, Seon-Hwa; Hong, Seung-Hye; An, Jung-Ung; Kim, Kyoung-Rok; Kim, Dong-Eun; Kang, Lin-Woo; Oh, Deok-Kun
2017-05-16
Sugar 4-epimerization reactions are important for the production of rare sugars and their derivatives, which have various potential industrial applications. For example, the production of tagatose, a functional sweetener, from fructose by sugar 4-epimerization is currently constrained because a fructose 4-epimerase does not exist in nature. We found that class II D-fructose-1,6-bisphosphate aldolase (FbaA) catalyzed the 4-epimerization of D-fructose-6-phosphate (F6P) to D-tagatose-6-phosphate (T6P) based on the prediction via structural comparisons with epimerase and molecular docking and the identification of the condensed products of C3 sugars. In vivo, the 4-epimerization activity of FbaA is normally repressed. This can be explained by our results showing the catalytic efficiency of D-fructose-6-phosphate kinase for F6P phosphorylation was significantly higher than that of FbaA for F6P epimerization. Here, we identified the epimerization reactions and the responsible catalytic residues through observation of the reactions of FbaA and L-rhamnulose-1-phosphate aldolases (RhaD) variants with substituted catalytic residues using different substrates. Moreover, we obtained detailed potential epimerization reaction mechanism of FbaA and a general epimerization mechanism of the class II aldolases L-fuculose-1-phosphate aldolase, RhaD, and FbaA. Thus, class II aldolases can be used as 4-epimerases for the stereo-selective synthesis of valuable carbohydrates.
PREDICTED PERCENTAGE DISSATISFIED (PPD) MODEL ...
African Journals Online (AJOL)
HOD
their low power requirements, are relatively cheap and are environment friendly. ... PREDICTED PERCENTAGE DISSATISFIED MODEL EVALUATION OF EVAPORATIVE COOLING ... The performance of direct evaporative coolers is a.
Directory of Open Access Journals (Sweden)
P. Srinivasan
2014-01-01
Full Text Available Nek6 is a member of the NIMA (never in mitosis, gene A-related serine/threonine kinase family that plays an important role in the initiation of mitotic cell cycle progression. This work is an attempt to emphasize the structural and functional relationship of Nek6 protein based on homology modeling and binding pocket analysis. The three-dimensional structure of Nek6 was constructed by molecular modeling studies and the best model was further assessed by PROCHECK, ProSA, and ERRAT plot in order to analyze the quality and consistency of generated model. The overall quality of computed model showed 87.4% amino acid residues under the favored region. A 3 ns molecular dynamics simulation confirmed that the structure was reliable and stable. Two lead compounds (Binding database ID: 15666, 18602 were retrieved through structure-based virtual screening and induced fit docking approaches as novel Nek6 inhibitors. Hence, we concluded that the potential compounds may act as new leads for Nek6 inhibitors designing.
Bootstrap prediction and Bayesian prediction under misspecified models
Fushiki, Tadayoshi
2005-01-01
We consider a statistical prediction problem under misspecified models. In a sense, Bayesian prediction is an optimal prediction method when an assumed model is true. Bootstrap prediction is obtained by applying Breiman's `bagging' method to a plug-in prediction. Bootstrap prediction can be considered to be an approximation to the Bayesian prediction under the assumption that the model is true. However, in applications, there are frequently deviations from the assumed model. In this paper, bo...
Shanmugam, Anusuya; Natarajan, Jeyakumar
2012-06-01
Multi drug resistance capacity for Mycobacterium leprae (MDR-Mle) demands the profound need for developing new anti-leprosy drugs. Since most of the drugs target a single enzyme, mutation in the active site renders the antibiotic ineffective. However, structural and mechanistic information on essential bacterial enzymes in a pathway could lead to the development of antibiotics that targets multiple enzymes. Peptidoglycan is an important component of the cell wall of M. leprae. The biosynthesis of bacterial peptidoglycan represents important targets for the development of new antibacterial drugs. Biosynthesis of peptidoglycan is a multi-step process that involves four key Mur ligase enzymes: MurC (EC:6.3.2.8), MurD (EC:6.3.2.9), MurE (EC:6.3.2.13) and MurF (EC:6.3.2.10). Hence in our work, we modeled the three-dimensional structure of the above Mur ligases using homology modeling method and analyzed its common binding features. The residues playing an important role in the catalytic activity of each of the Mur enzymes were predicted by docking these Mur ligases with their substrates and ATP. The conserved sequence motifs significant for ATP binding were predicted as the probable residues for structure based drug designing. Overall, the study was successful in listing significant and common binding residues of Mur enzymes in peptidoglycan pathway for multi targeted therapy.
MODEL PREDICTIVE CONTROL FUNDAMENTALS
African Journals Online (AJOL)
2012-07-02
Jul 2, 2012 ... signal based on a process model, coping with constraints on inputs and ... paper, we will present an introduction to the theory and application of MPC with Matlab codes ... section 5 presents the simulation results and section 6.
Gadkari, Varun V; Harvey, Sophie R; Raper, Austin T; Chu, Wen-Ting; Wang, Jin; Wysocki, Vicki H; Suo, Zucai
2018-01-01
Abstract Proliferating cell nuclear antigen (PCNA) is a trimeric ring-shaped clamp protein that encircles DNA and interacts with many proteins involved in DNA replication and repair. Despite extensive structural work to characterize the monomeric, dimeric, and trimeric forms of PCNA alone and in complex with interacting proteins, no structure of PCNA in a ring-open conformation has been published. Here, we use a multidisciplinary approach, including single-molecule Förster resonance energy transfer (smFRET), native ion mobility-mass spectrometry (IM-MS), and structure-based computational modeling, to explore the conformational dynamics of a model PCNA from Sulfolobus solfataricus (Sso), an archaeon. We found that Sso PCNA samples ring-open and ring-closed conformations even in the absence of its clamp loader complex, replication factor C, and transition to the ring-open conformation is modulated by the ionic strength of the solution. The IM-MS results corroborate the smFRET findings suggesting that PCNA dynamics are maintained in the gas phase and further establishing IM-MS as a reliable strategy to investigate macromolecular motions. Our molecular dynamic simulations agree with the experimental data and reveal that ring-open PCNA often adopts an out-of-plane left-hand geometry. Collectively, these results implore future studies to define the roles of PCNA dynamics in DNA loading and other PCNA-mediated interactions. PMID:29529283
Melanoma Risk Prediction Models
Developing statistical models that estimate the probability of developing melanoma cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Modelling bankruptcy prediction models in Slovak companies
Directory of Open Access Journals (Sweden)
Kovacova Maria
2017-01-01
Full Text Available An intensive research from academics and practitioners has been provided regarding models for bankruptcy prediction and credit risk management. In spite of numerous researches focusing on forecasting bankruptcy using traditional statistics techniques (e.g. discriminant analysis and logistic regression and early artificial intelligence models (e.g. artificial neural networks, there is a trend for transition to machine learning models (support vector machines, bagging, boosting, and random forest to predict bankruptcy one year prior to the event. Comparing the performance of this with unconventional approach with results obtained by discriminant analysis, logistic regression, and neural networks application, it has been found that bagging, boosting, and random forest models outperform the others techniques, and that all prediction accuracy in the testing sample improves when the additional variables are included. On the other side the prediction accuracy of old and well known bankruptcy prediction models is quiet high. Therefore, we aim to analyse these in some way old models on the dataset of Slovak companies to validate their prediction ability in specific conditions. Furthermore, these models will be modelled according to new trends by calculating the influence of elimination of selected variables on the overall prediction ability of these models.
Predictive models of moth development
Degree-day models link ambient temperature to insect life-stages, making such models valuable tools in integrated pest management. These models increase management efficacy by predicting pest phenology. In Wisconsin, the top insect pest of cranberry production is the cranberry fruitworm, Acrobasis v...
Predictive Models and Computational Embryology
EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...
Predictive Modeling in Race Walking
Directory of Open Access Journals (Sweden)
Krzysztof Wiktorowicz
2015-01-01
Full Text Available This paper presents the use of linear and nonlinear multivariable models as tools to support training process of race walkers. These models are calculated using data collected from race walkers’ training events and they are used to predict the result over a 3 km race based on training loads. The material consists of 122 training plans for 21 athletes. In order to choose the best model leave-one-out cross-validation method is used. The main contribution of the paper is to propose the nonlinear modifications for linear models in order to achieve smaller prediction error. It is shown that the best model is a modified LASSO regression with quadratic terms in the nonlinear part. This model has the smallest prediction error and simplified structure by eliminating some of the predictors.
Web tools for predictive toxicology model building.
Jeliazkova, Nina
2012-07-01
The development and use of web tools in chemistry has accumulated more than 15 years of history already. Powered by the advances in the Internet technologies, the current generation of web systems are starting to expand into areas, traditional for desktop applications. The web platforms integrate data storage, cheminformatics and data analysis tools. The ease of use and the collaborative potential of the web is compelling, despite the challenges. The topic of this review is a set of recently published web tools that facilitate predictive toxicology model building. The focus is on software platforms, offering web access to chemical structure-based methods, although some of the frameworks could also provide bioinformatics or hybrid data analysis functionalities. A number of historical and current developments are cited. In order to provide comparable assessment, the following characteristics are considered: support for workflows, descriptor calculations, visualization, modeling algorithms, data management and data sharing capabilities, availability of GUI or programmatic access and implementation details. The success of the Web is largely due to its highly decentralized, yet sufficiently interoperable model for information access. The expected future convergence between cheminformatics and bioinformatics databases provides new challenges toward management and analysis of large data sets. The web tools in predictive toxicology will likely continue to evolve toward the right mix of flexibility, performance, scalability, interoperability, sets of unique features offered, friendly user interfaces, programmatic access for advanced users, platform independence, results reproducibility, curation and crowdsourcing utilities, collaborative sharing and secure access.
Lewis, Tony E; Sillitoe, Ian; Andreeva, Antonina; Blundell, Tom L; Buchan, Daniel W A; Chothia, Cyrus; Cuff, Alison; Dana, Jose M; Filippis, Ioannis; Gough, Julian; Hunter, Sarah; Jones, David T; Kelley, Lawrence A; Kleywegt, Gerard J; Minneci, Federico; Mitchell, Alex; Murzin, Alexey G; Ochoa-Montaño, Bernardo; Rackham, Owen J L; Smith, James; Sternberg, Michael J E; Velankar, Sameer; Yeats, Corin; Orengo, Christine
2013-01-01
Genome3D, available at http://www.genome3d.eu, is a new collaborative project that integrates UK-based structural resources to provide a unique perspective on sequence-structure-function relationships. Leading structure prediction resources (DomSerf, FUGUE, Gene3D, pDomTHREADER, Phyre and SUPERFAMILY) provide annotations for UniProt sequences to indicate the locations of structural domains (structural annotations) and their 3D structures (structural models). Structural annotations and 3D model predictions are currently available for three model genomes (Homo sapiens, E. coli and baker's yeast), and the project will extend to other genomes in the near future. As these resources exploit different strategies for predicting structures, the main aim of Genome3D is to enable comparisons between all the resources so that biologists can see where predictions agree and are therefore more trusted. Furthermore, as these methods differ in whether they build their predictions using CATH or SCOP, Genome3D also contains the first official mapping between these two databases. This has identified pairs of similar superfamilies from the two resources at various degrees of consensus (532 bronze pairs, 527 silver pairs and 370 gold pairs).
DEFF Research Database (Denmark)
Senturk, Osman Selcuk; Helle, Lars; Munk-Nielsen, Stig
2011-01-01
performance, the converter structure-based power loss and thermal models are developed in this study for the medium-voltage (MV) three-level active neutral-point-clamped voltage source converter (3L-ANPC-VSC) utilizing 4500 V-1800 A press-pack insulated-gate bipolar transistor-diode pairs and interfacing a 6...
International Nuclear Information System (INIS)
Flisgen, Thomas
2015-01-01
The modeling of large chains of superconducting cavities with couplers is a challenging task in computational electrical engineering. The direct numerical treatment of these structures can easily lead to problems with more than ten million degrees of freedom. Problems of this complexity are typically solved with the help of parallel programs running on supercomputing infrastructures. However, these infrastructures are expensive to purchase, to operate, and to maintain. The aim of this thesis is to introduce and to validate an approach which allows for modeling large structures on a standard workstation. The novel technique is called State-Space Concatenations and is based on the decomposition of the complete structure into individual segments. The radio-frequency properties of the generated segments are described by a set of state-space equations which either emerge from analytical considerations or from numerical discretization schemes. The model order of these equations is reduced using dedicated model order reduction techniques. In a final step, the reduced-order state-space models of the segments are concatenated in accordance with the topology of the complete structure. The concatenation is based on algebraic continuity constraints of electric and magnetic fields on the decomposition planes and results in a compact state-space system of the complete radio-frequency structure. Compared to the original problem, the number of degrees of freedom is drastically reduced, i.e. a problem with more than ten million degrees of freedom can be reduced on a standard workstation to a problem with less than one thousand degrees of freedom. The final state-space system allows for determining frequency-domain transfer functions, field distributions, resonances, and quality factors of the complete structure in a convenient manner. This thesis presents the theory of the state-space concatenation approach and discusses several validation and application examples. The examples
Jain, Sankalp; Grandits, Melanie; Richter, Lars; Ecker, Gerhard F.
2017-06-01
The bile salt export pump (BSEP) actively transports conjugated monovalent bile acids from the hepatocytes into the bile. This facilitates the formation of micelles and promotes digestion and absorption of dietary fat. Inhibition of BSEP leads to decreased bile flow and accumulation of cytotoxic bile salts in the liver. A number of compounds have been identified to interact with BSEP, which results in drug-induced cholestasis or liver injury. Therefore, in silico approaches for flagging compounds as potential BSEP inhibitors would be of high value in the early stage of the drug discovery pipeline. Up to now, due to the lack of a high-resolution X-ray structure of BSEP, in silico based identification of BSEP inhibitors focused on ligand-based approaches. In this study, we provide a homology model for BSEP, developed using the corrected mouse P-glycoprotein structure (PDB ID: 4M1M). Subsequently, the model was used for docking-based classification of a set of 1212 compounds (405 BSEP inhibitors, 807 non-inhibitors). Using the scoring function ChemScore, a prediction accuracy of 81% on the training set and 73% on two external test sets could be obtained. In addition, the applicability domain of the models was assessed based on Euclidean distance. Further, analysis of the protein-ligand interaction fingerprints revealed certain functional group-amino acid residue interactions that could play a key role for ligand binding. Though ligand-based models, due to their high speed and accuracy, remain the method of choice for classification of BSEP inhibitors, structure-assisted docking models demonstrate reasonably good prediction accuracies while additionally providing information about putative protein-ligand interactions.
Directory of Open Access Journals (Sweden)
Abu-Tair A.
2016-01-01
Full Text Available Concrete is the backbone of any developed economy. Concrete can suffer from a large number of deleterious effects including physical, chemical and biological causes. Large owning bridge structures organizations are facing very serious questions when asking for maintenance budgets. The questions range from needing to justify the need for the work, its urgency, to also have to predict or show the consequences of delayed rehabilitation of a particular structure. There is therefore a need for a probabilistic model that can estimate the range of service lives of bridge populations and also the likelihood of level of deteriorations it can reached for every incremental time interval. A model was developed for such estimation based on statistical data from actual inspection records of a large reinforced concrete bridge portfolio. The method used both deterministic and stochastic methods to predict the service life of a bridge, using these service lives in combination with the just in time (JIT principle of management would enable maintenance managers to justify the need for action and the budgets needed, to intervene at the optimum time in the life of the structure and that of the deterioration. The paper will report on the model which is based on a large database of deterioration records of concrete bridges covering a period of over 60 years and include data from over 400 bridge structures. The paper will also illustrate how the service life model was developed and how these service lives combined with the JIT can be used to effectively allocate resources and use them to keep a major infrastructure asset moving with little disruption to the transport system and its users.
Consensus models to predict endocrine disruption for all ...
Humans are potentially exposed to tens of thousands of man-made chemicals in the environment. It is well known that some environmental chemicals mimic natural hormones and thus have the potential to be endocrine disruptors. Most of these environmental chemicals have never been tested for their ability to disrupt the endocrine system, in particular, their ability to interact with the estrogen receptor. EPA needs tools to prioritize thousands of chemicals, for instance in the Endocrine Disruptor Screening Program (EDSP). Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) was intended to be a demonstration of the use of predictive computational models on HTS data including ToxCast and Tox21 assays to prioritize a large chemical universe of 32464 unique structures for one specific molecular target – the estrogen receptor. CERAPP combined multiple computational models for prediction of estrogen receptor activity, and used the predicted results to build a unique consensus model. Models were developed in collaboration between 17 groups in the U.S. and Europe and applied to predict the common set of chemicals. Structure-based techniques such as docking and several QSAR modeling approaches were employed, mostly using a common training set of 1677 compounds provided by U.S. EPA, to build a total of 42 classification models and 8 regression models for binding, agonist and antagonist activity. All predictions were evaluated on ToxCast data and on an exte
Model predictive control using fuzzy decision functions
Kaymak, U.; Costa Sousa, da J.M.
2001-01-01
Fuzzy predictive control integrates conventional model predictive control with techniques from fuzzy multicriteria decision making, translating the goals and the constraints to predictive control in a transparent way. The information regarding the (fuzzy) goals and the (fuzzy) constraints of the
Predicting nucleic acid binding interfaces from structural models of proteins.
Dror, Iris; Shazman, Shula; Mukherjee, Srayanta; Zhang, Yang; Glaser, Fabian; Mandel-Gutfreund, Yael
2012-02-01
The function of DNA- and RNA-binding proteins can be inferred from the characterization and accurate prediction of their binding interfaces. However, the main pitfall of various structure-based methods for predicting nucleic acid binding function is that they are all limited to a relatively small number of proteins for which high-resolution three-dimensional structures are available. In this study, we developed a pipeline for extracting functional electrostatic patches from surfaces of protein structural models, obtained using the I-TASSER protein structure predictor. The largest positive patches are extracted from the protein surface using the patchfinder algorithm. We show that functional electrostatic patches extracted from an ensemble of structural models highly overlap the patches extracted from high-resolution structures. Furthermore, by testing our pipeline on a set of 55 known nucleic acid binding proteins for which I-TASSER produces high-quality models, we show that the method accurately identifies the nucleic acids binding interface on structural models of proteins. Employing a combined patch approach we show that patches extracted from an ensemble of models better predicts the real nucleic acid binding interfaces compared with patches extracted from independent models. Overall, these results suggest that combining information from a collection of low-resolution structural models could be a valuable approach for functional annotation. We suggest that our method will be further applicable for predicting other functional surfaces of proteins with unknown structure. Copyright © 2011 Wiley Periodicals, Inc.
Model Prediction Control For Water Management Using Adaptive Prediction Accuracy
Tian, X.; Negenborn, R.R.; Van Overloop, P.J.A.T.M.; Mostert, E.
2014-01-01
In the field of operational water management, Model Predictive Control (MPC) has gained popularity owing to its versatility and flexibility. The MPC controller, which takes predictions, time delay and uncertainties into account, can be designed for multi-objective management problems and for
Iowa calibration of MEPDG performance prediction models.
2013-06-01
This study aims to improve the accuracy of AASHTO Mechanistic-Empirical Pavement Design Guide (MEPDG) pavement : performance predictions for Iowa pavement systems through local calibration of MEPDG prediction models. A total of 130 : representative p...
Model complexity control for hydrologic prediction
Schoups, G.; Van de Giesen, N.C.; Savenije, H.H.G.
2008-01-01
A common concern in hydrologic modeling is overparameterization of complex models given limited and noisy data. This leads to problems of parameter nonuniqueness and equifinality, which may negatively affect prediction uncertainties. A systematic way of controlling model complexity is therefore
Directory of Open Access Journals (Sweden)
Alaa Al-Ibadi
2017-10-01
Full Text Available To clarify the advantages of using soft robots in all aspects of life, the effective behaviour of the pneumatic muscle actuator (PMA must be known. In this work, the performances of the PMA are explained and modelled with three formulas. The first formula describes the pulling force of the actuator based on the structure parameters; furthermore, the formula presented is the generalised contraction force for wholly-pneumatic muscle actuators. The second important model is the length formula, which is modified to our previous work to fit different actuator structures. Based on these two models, the stiffness of the actuator is formulated to illustrate its variability at different air pressure amounts. In addition, these formulas will make the selection of proper actuators for any robot arm structure easier using the knowledge gained from their performance. On the other hand, the desired behaviour of this type of actuator will be predefined and controlled.
Kuvich, Gary
2003-08-01
Vision is a part of a larger information system that converts visual information into knowledge structures. These structures drive vision process, resolve ambiguity and uncertainty via feedback projections, and provide image understanding that is an interpretation of visual information in terms of such knowledge models. The ability of human brain to emulate knowledge structures in the form of networks-symbolic models is found. And that means an important shift of paradigm in our knowledge about brain from neural networks to "cortical software". Symbols, predicates and grammars naturally emerge in such active multilevel hierarchical networks, and logic is simply a way of restructuring such models. Brain analyzes an image as a graph-type decision structure created via multilevel hierarchical compression of visual information. Mid-level vision processes like clustering, perceptual grouping, separation of figure from ground, are special kinds of graph/network transformations. They convert low-level image structure into the set of more abstract ones, which represent objects and visual scene, making them easy for analysis by higher-level knowledge structures. Higher-level vision phenomena are results of such analysis. Composition of network-symbolic models works similar to frames and agents, combines learning, classification, analogy together with higher-level model-based reasoning into a single framework. Such models do not require supercomputers. Based on such principles, and using methods of Computational intelligence, an Image Understanding system can convert images into the network-symbolic knowledge models, and effectively resolve uncertainty and ambiguity, providing unifying representation for perception and cognition. That allows creating new intelligent computer vision systems for robotic and defense industries.
In silico modeling to predict drug-induced phospholipidosis
International Nuclear Information System (INIS)
Choi, Sydney S.; Kim, Jae S.; Valerio, Luis G.; Sadrieh, Nakissa
2013-01-01
Drug-induced phospholipidosis (DIPL) is a preclinical finding during pharmaceutical drug development that has implications on the course of drug development and regulatory safety review. A principal characteristic of drugs inducing DIPL is known to be a cationic amphiphilic structure. This provides evidence for a structure-based explanation and opportunity to analyze properties and structures of drugs with the histopathologic findings for DIPL. In previous work from the FDA, in silico quantitative structure–activity relationship (QSAR) modeling using machine learning approaches has shown promise with a large dataset of drugs but included unconfirmed data as well. In this study, we report the construction and validation of a battery of complementary in silico QSAR models using the FDA's updated database on phospholipidosis, new algorithms and predictive technologies, and in particular, we address high performance with a high-confidence dataset. The results of our modeling for DIPL include rigorous external validation tests showing 80–81% concordance. Furthermore, the predictive performance characteristics include models with high sensitivity and specificity, in most cases above ≥ 80% leading to desired high negative and positive predictivity. These models are intended to be utilized for regulatory toxicology applied science needs in screening new drugs for DIPL. - Highlights: • New in silico models for predicting drug-induced phospholipidosis (DIPL) are described. • The training set data in the models is derived from the FDA's phospholipidosis database. • We find excellent predictivity values of the models based on external validation. • The models can support drug screening and regulatory decision-making on DIPL
Directory of Open Access Journals (Sweden)
Wenyi Wang
2013-12-01
Full Text Available An inexact fuzzy multi-objective programming model (IFMOP based on the environmental carrying capacity is provided for industrial structure optimization problems. In the IFMOP model, both fuzzy linear programming (FLP and inexact linear programming (ILP methods are introduced into a multi-objective programming framework. It allows uncertainties to be directly communicated into the problem solving processing, and it can effectively reflect the complexity and uncertainty of an industrial system without impractical simplification. The two objective functions utilized in the optimization study are the maximum total output value and population size, and the constraints include water environmental capacity, water resource supply, atmospheric environmental capacity and energy supply. The model is subsequently employed in a realistic case for industrial development in the Tongzhou district, Beijing, China. The results demonstrate that the model can help to analyze whether the environmental carrying capacity of Tongzhou can meet the needs of the social economic objectives in the new town plan in the two scenarios and can assist decision makers in generating stable and balanced industrial structure patterns with consideration of the resources, energy and environmental constraints to meet the maximum social economic efficiency.
Nonlinear chaotic model for predicting storm surges
Directory of Open Access Journals (Sweden)
M. Siek
2010-09-01
Full Text Available This paper addresses the use of the methods of nonlinear dynamics and chaos theory for building a predictive chaotic model from time series. The chaotic model predictions are made by the adaptive local models based on the dynamical neighbors found in the reconstructed phase space of the observables. We implemented the univariate and multivariate chaotic models with direct and multi-steps prediction techniques and optimized these models using an exhaustive search method. The built models were tested for predicting storm surge dynamics for different stormy conditions in the North Sea, and are compared to neural network models. The results show that the chaotic models can generally provide reliable and accurate short-term storm surge predictions.
Staying Power of Churn Prediction Models
Risselada, Hans; Verhoef, Peter C.; Bijmolt, Tammo H. A.
In this paper, we study the staying power of various churn prediction models. Staying power is defined as the predictive performance of a model in a number of periods after the estimation period. We examine two methods, logit models and classification trees, both with and without applying a bagging
Predictive user modeling with actionable attributes
Zliobaite, I.; Pechenizkiy, M.
2013-01-01
Different machine learning techniques have been proposed and used for modeling individual and group user needs, interests and preferences. In the traditional predictive modeling instances are described by observable variables, called attributes. The goal is to learn a model for predicting the target
EFFICIENT PREDICTIVE MODELLING FOR ARCHAEOLOGICAL RESEARCH
Balla, A.; Pavlogeorgatos, G.; Tsiafakis, D.; Pavlidis, G.
2014-01-01
The study presents a general methodology for designing, developing and implementing predictive modelling for identifying areas of archaeological interest. The methodology is based on documented archaeological data and geographical factors, geospatial analysis and predictive modelling, and has been applied to the identification of possible Macedonian tombs’ locations in Northern Greece. The model was tested extensively and the results were validated using a commonly used predictive gain, which...
Fukunishi, Yoshifumi
2010-01-01
For fragment-based drug development, both hit (active) compound prediction and docking-pose (protein-ligand complex structure) prediction of the hit compound are important, since chemical modification (fragment linking, fragment evolution) subsequent to the hit discovery must be performed based on the protein-ligand complex structure. However, the naïve protein-compound docking calculation shows poor accuracy in terms of docking-pose prediction. Thus, post-processing of the protein-compound docking is necessary. Recently, several methods for the post-processing of protein-compound docking have been proposed. In FBDD, the compounds are smaller than those for conventional drug screening. This makes it difficult to perform the protein-compound docking calculation. A method to avoid this problem has been reported. Protein-ligand binding free energy estimation is useful to reduce the procedures involved in the chemical modification of the hit fragment. Several prediction methods have been proposed for high-accuracy estimation of protein-ligand binding free energy. This paper summarizes the various computational methods proposed for docking-pose prediction and their usefulness in FBDD.
Zhang, Shengyong
2017-07-01
Spot welding has been widely used for vehicle body construction due to its advantages of high speed and adaptability for automation. An effort to increase the stiffness-to-weight ratio of spot-welded structures is investigated based upon nonlinear finite element analysis. Topology optimization is conducted for reducing weight in the overlapping regions by choosing an appropriate topology. Three spot-welded models (lap, doubt-hat and T-shape) that approximate “typical” vehicle body components are studied for validating and illustrating the proposed method. It is concluded that removing underutilized material from overlapping regions can result in a significant increase in structural stiffness-to-weight ratio.
Robust predictions of the interacting boson model
International Nuclear Information System (INIS)
Casten, R.F.; Koeln Univ.
1994-01-01
While most recognized for its symmetries and algebraic structure, the IBA model has other less-well-known but equally intrinsic properties which give unavoidable, parameter-free predictions. These predictions concern central aspects of low-energy nuclear collective structure. This paper outlines these ''robust'' predictions and compares them with the data
Comparison of Prediction-Error-Modelling Criteria
DEFF Research Database (Denmark)
Jørgensen, John Bagterp; Jørgensen, Sten Bay
2007-01-01
Single and multi-step prediction-error-methods based on the maximum likelihood and least squares criteria are compared. The prediction-error methods studied are based on predictions using the Kalman filter and Kalman predictors for a linear discrete-time stochastic state space model, which is a r...
Saxena, Shalini; Abdullah, Maaged; Sriram, Dharmarajan; Guruprasad, Lalitha
2017-10-17
MurG (Rv2153c) is a key player in the biosynthesis of the peptidoglycan layer in Mycobacterium tuberculosis (Mtb). This work is an attempt to highlight the structural and functional relationship of Mtb MurG, the three-dimensional (3D) structure of protein was constructed by homology modelling using Discovery Studio 3.5 software. The quality and consistency of generated model was assessed by PROCHECK, ProSA and ERRAT. Later, the model was optimized by molecular dynamics (MD) simulations and the optimized model complex with substrate Uridine-diphosphate-N-acetylglucosamine (UD1) facilitated us to employ structure-based virtual screening approach to obtain new hits from Asinex database using energy-optimized pharmacophore modelling (e-pharmacophore). The pharmacophore model was validated using enrichment calculations, and finally, validated model was employed for high-throughput virtual screening and molecular docking to identify novel Mtb MurG inhibitors. This study led to the identification of 10 potential compounds with good fitness, docking score, which make important interactions with the protein active site. The 25 ns MD simulations of three potential lead compounds with protein confirmed that the structure was stable and make several non-bonding interactions with amino acids, such as Leu290, Met310 and Asn167. Hence, we concluded that the identified compounds may act as new leads for the design of Mtb MurG inhibitors.
Directory of Open Access Journals (Sweden)
Xiaoning Zhang
2016-10-01
Full Text Available The Dabashan thrust nappe structure at the southern margin of the Qinling orogenic belt suffered at least two stages of evolution which are Late Triassic plate subduction collisional orogeny between North China block, Qinling micro-plate and Yangtze block followed by intracontinental orogeny since the Meso-Cenozoic. A prominent topography characteristic within the Dabashan area is a southwestward extrusive arc (Bashan Arc fault that is one of key factors to understand the geodynamic condition of the Dabashan thrust nappe structure. In this work, two-dimensional plan-view models are constructed to simulate the collisional and intracontinental orogenic movements, and the factors that may control the formation of the Bashan Arc fault are analysed. The modelling results show that the compressive stress produced by the plates collision along both north and south boundaries is the main driving force. The dextral shearing derived from the inconsistent shape on the block margins is the main controller. Rigid tectonic units such as Bikou and Hanan-Micangshan terranes, Foping and Wudang domes, as well as Shennongjia-Huangling anticline also contribute as “anchor” effects. Additionally, the rheology properties of rock material in the Dabashan area affect the shape of the arc. Condición geológica y geodinámica para la formación estructural de la falla de cabalgamiento en las montañas Dabashan basada en el modelo numérico del software FLAC Resumen La estructura de la falla de cabalgamiento de las montañas Dabashan en el margen sur del cinturón orogénico de Qinling sufrió por lo menos dos etapas de evolución, la colisión orogénica del Triásico Superior entre el bloque de la China del Norte, la microplaca de Qinling y el bloque Yangtze, y la orogénesis intracontinental desde el Meso-Cenozoico. Una característica topográfica prominente del área de Dabashan es un arco extrusivo (falla Arco de Bashan hacia el suroeste, que es un
Extracting falsifiable predictions from sloppy models.
Gutenkunst, Ryan N; Casey, Fergal P; Waterfall, Joshua J; Myers, Christopher R; Sethna, James P
2007-12-01
Successful predictions are among the most compelling validations of any model. Extracting falsifiable predictions from nonlinear multiparameter models is complicated by the fact that such models are commonly sloppy, possessing sensitivities to different parameter combinations that range over many decades. Here we discuss how sloppiness affects the sorts of data that best constrain model predictions, makes linear uncertainty approximations dangerous, and introduces computational difficulties in Monte-Carlo uncertainty analysis. We also present a useful test problem and suggest refinements to the standards by which models are communicated.
The prediction of epidemics through mathematical modeling.
Schaus, Catherine
2014-01-01
Mathematical models may be resorted to in an endeavor to predict the development of epidemics. The SIR model is one of the applications. Still too approximate, the use of statistics awaits more data in order to come closer to reality.
Calibration of PMIS pavement performance prediction models.
2012-02-01
Improve the accuracy of TxDOTs existing pavement performance prediction models through calibrating these models using actual field data obtained from the Pavement Management Information System (PMIS). : Ensure logical performance superiority patte...
Evaluating Predictive Uncertainty of Hyporheic Exchange Modelling
Chow, R.; Bennett, J.; Dugge, J.; Wöhling, T.; Nowak, W.
2017-12-01
Hyporheic exchange is the interaction of water between rivers and groundwater, and is difficult to predict. One of the largest contributions to predictive uncertainty for hyporheic fluxes have been attributed to the representation of heterogeneous subsurface properties. This research aims to evaluate which aspect of the subsurface representation - the spatial distribution of hydrofacies or the model for local-scale (within-facies) heterogeneity - most influences the predictive uncertainty. Also, we seek to identify data types that help reduce this uncertainty best. For this investigation, we conduct a modelling study of the Steinlach River meander, in Southwest Germany. The Steinlach River meander is an experimental site established in 2010 to monitor hyporheic exchange at the meander scale. We use HydroGeoSphere, a fully integrated surface water-groundwater model, to model hyporheic exchange and to assess the predictive uncertainty of hyporheic exchange transit times (HETT). A highly parameterized complex model is built and treated as `virtual reality', which is in turn modelled with simpler subsurface parameterization schemes (Figure). Then, we conduct Monte-Carlo simulations with these models to estimate the predictive uncertainty. Results indicate that: Uncertainty in HETT is relatively small for early times and increases with transit times. Uncertainty from local-scale heterogeneity is negligible compared to uncertainty in the hydrofacies distribution. Introducing more data to a poor model structure may reduce predictive variance, but does not reduce predictive bias. Hydraulic head observations alone cannot constrain the uncertainty of HETT, however an estimate of hyporheic exchange flux proves to be more effective at reducing this uncertainty. Figure: Approach for evaluating predictive model uncertainty. A conceptual model is first developed from the field investigations. A complex model (`virtual reality') is then developed based on that conceptual model
Case studies in archaeological predictive modelling
Verhagen, Jacobus Wilhelmus Hermanus Philippus
2007-01-01
In this thesis, a collection of papers is put together dealing with various quantitative aspects of predictive modelling and archaeological prospection. Among the issues covered are the effects of survey bias on the archaeological data used for predictive modelling, and the complexities of testing
Wessler, Benjamin S; Lai Yh, Lana; Kramer, Whitney; Cangelosi, Michael; Raman, Gowri; Lutz, Jennifer S; Kent, David M
2015-07-01
Clinical prediction models (CPMs) estimate the probability of clinical outcomes and hold the potential to improve decision making and individualize care. For patients with cardiovascular disease, there are numerous CPMs available although the extent of this literature is not well described. We conducted a systematic review for articles containing CPMs for cardiovascular disease published between January 1990 and May 2012. Cardiovascular disease includes coronary heart disease, heart failure, arrhythmias, stroke, venous thromboembolism, and peripheral vascular disease. We created a novel database and characterized CPMs based on the stage of development, population under study, performance, covariates, and predicted outcomes. There are 796 models included in this database. The number of CPMs published each year is increasing steadily over time. Seven hundred seventeen (90%) are de novo CPMs, 21 (3%) are CPM recalibrations, and 58 (7%) are CPM adaptations. This database contains CPMs for 31 index conditions, including 215 CPMs for patients with coronary artery disease, 168 CPMs for population samples, and 79 models for patients with heart failure. There are 77 distinct index/outcome pairings. Of the de novo models in this database, 450 (63%) report a c-statistic and 259 (36%) report some information on calibration. There is an abundance of CPMs available for a wide assortment of cardiovascular disease conditions, with substantial redundancy in the literature. The comparative performance of these models, the consistency of effects and risk estimates across models and the actual and potential clinical impact of this body of literature is poorly understood. © 2015 American Heart Association, Inc.
Incorporating uncertainty in predictive species distribution modelling.
Beale, Colin M; Lennon, Jack J
2012-01-19
Motivated by the need to solve ecological problems (climate change, habitat fragmentation and biological invasions), there has been increasing interest in species distribution models (SDMs). Predictions from these models inform conservation policy, invasive species management and disease-control measures. However, predictions are subject to uncertainty, the degree and source of which is often unrecognized. Here, we review the SDM literature in the context of uncertainty, focusing on three main classes of SDM: niche-based models, demographic models and process-based models. We identify sources of uncertainty for each class and discuss how uncertainty can be minimized or included in the modelling process to give realistic measures of confidence around predictions. Because this has typically not been performed, we conclude that uncertainty in SDMs has often been underestimated and a false precision assigned to predictions of geographical distribution. We identify areas where development of new statistical tools will improve predictions from distribution models, notably the development of hierarchical models that link different types of distribution model and their attendant uncertainties across spatial scales. Finally, we discuss the need to develop more defensible methods for assessing predictive performance, quantifying model goodness-of-fit and for assessing the significance of model covariates.
Model Predictive Control for Smart Energy Systems
DEFF Research Database (Denmark)
Halvgaard, Rasmus
pumps, heat tanks, electrical vehicle battery charging/discharging, wind farms, power plants). 2.Embed forecasting methodologies for the weather (e.g. temperature, solar radiation), the electricity consumption, and the electricity price in a predictive control system. 3.Develop optimization algorithms....... Chapter 3 introduces Model Predictive Control (MPC) including state estimation, filtering and prediction for linear models. Chapter 4 simulates the models from Chapter 2 with the certainty equivalent MPC from Chapter 3. An economic MPC minimizes the costs of consumption based on real electricity prices...... that determined the flexibility of the units. A predictive control system easily handles constraints, e.g. limitations in power consumption, and predicts the future behavior of a unit by integrating predictions of electricity prices, consumption, and weather variables. The simulations demonstrate the expected...
Evaluating the Predictive Value of Growth Prediction Models
Murphy, Daniel L.; Gaertner, Matthew N.
2014-01-01
This study evaluates four growth prediction models--projection, student growth percentile, trajectory, and transition table--commonly used to forecast (and give schools credit for) middle school students' future proficiency. Analyses focused on vertically scaled summative mathematics assessments, and two performance standards conditions (high…
Model predictive control classical, robust and stochastic
Kouvaritakis, Basil
2016-01-01
For the first time, a textbook that brings together classical predictive control with treatment of up-to-date robust and stochastic techniques. Model Predictive Control describes the development of tractable algorithms for uncertain, stochastic, constrained systems. The starting point is classical predictive control and the appropriate formulation of performance objectives and constraints to provide guarantees of closed-loop stability and performance. Moving on to robust predictive control, the text explains how similar guarantees may be obtained for cases in which the model describing the system dynamics is subject to additive disturbances and parametric uncertainties. Open- and closed-loop optimization are considered and the state of the art in computationally tractable methods based on uncertainty tubes presented for systems with additive model uncertainty. Finally, the tube framework is also applied to model predictive control problems involving hard or probabilistic constraints for the cases of multiplic...
Kobayashi, Kenya; Sudo, Masaki; Omura, Ichiro
2018-04-01
Field-plate trench MOSFETs (FP-MOSFETs), with the features of ultralow on-resistance and very low gate–drain charge, are currently the mainstream of high-performance applications and their advancement is continuing as low-voltage silicon power devices. However, owing to their structure, their output capacitance (C oss), which leads to main power loss, remains to be a problem, especially in megahertz switching. In this study, we propose a structure-based capacitance model of FP-MOSFETs for calculating power loss easily under various conditions. Appropriate equations were modeled for C oss curves as three divided components. Output charge (Q oss) and stored energy (E oss) that were calculated using the model corresponded well to technology computer-aided design (TCAD) simulation, and we validated the accuracy of the model quantitatively. In the power loss analysis of FP-MOSFETs, turn-off loss was sufficiently suppressed, however, mainly Q oss loss increased depending on switching frequency. This analysis reveals that Q oss may become a significant issue in next-generation high-efficiency FP-MOSFETs.
Modeling, robust and distributed model predictive control for freeway networks
Liu, S.
2016-01-01
In Model Predictive Control (MPC) for traffic networks, traffic models are crucial since they are used as prediction models for determining the optimal control actions. In order to reduce the computational complexity of MPC for traffic networks, macroscopic traffic models are often used instead of
Deep Predictive Models in Interactive Music
Martin, Charles P.; Ellefsen, Kai Olav; Torresen, Jim
2018-01-01
Automatic music generation is a compelling task where much recent progress has been made with deep learning models. In this paper, we ask how these models can be integrated into interactive music systems; how can they encourage or enhance the music making of human users? Musical performance requires prediction to operate instruments, and perform in groups. We argue that predictive models could help interactive systems to understand their temporal context, and ensemble behaviour. Deep learning...
Unreachable Setpoints in Model Predictive Control
DEFF Research Database (Denmark)
Rawlings, James B.; Bonné, Dennis; Jørgensen, John Bagterp
2008-01-01
In this work, a new model predictive controller is developed that handles unreachable setpoints better than traditional model predictive control methods. The new controller induces an interesting fast/slow asymmetry in the tracking response of the system. Nominal asymptotic stability of the optimal...... steady state is established for terminal constraint model predictive control (MPC). The region of attraction is the steerable set. Existing analysis methods for closed-loop properties of MPC are not applicable to this new formulation, and a new analysis method is developed. It is shown how to extend...
Bayesian Predictive Models for Rayleigh Wind Speed
DEFF Research Database (Denmark)
Shahirinia, Amir; Hajizadeh, Amin; Yu, David C
2017-01-01
predictive model of the wind speed aggregates the non-homogeneous distributions into a single continuous distribution. Therefore, the result is able to capture the variation among the probability distributions of the wind speeds at the turbines’ locations in a wind farm. More specifically, instead of using...... a wind speed distribution whose parameters are known or estimated, the parameters are considered as random whose variations are according to probability distributions. The Bayesian predictive model for a Rayleigh which only has a single model scale parameter has been proposed. Also closed-form posterior...... and predictive inferences under different reasonable choices of prior distribution in sensitivity analysis have been presented....
Predictive Modelling and Time: An Experiment in Temporal Archaeological Predictive Models
David Ebert
2006-01-01
One of the most common criticisms of archaeological predictive modelling is that it fails to account for temporal or functional differences in sites. However, a practical solution to temporal or functional predictive modelling has proven to be elusive. This article discusses temporal predictive modelling, focusing on the difficulties of employing temporal variables, then introduces and tests a simple methodology for the implementation of temporal modelling. The temporal models thus created ar...
Fingerprint verification prediction model in hand dermatitis.
Lee, Chew K; Chang, Choong C; Johor, Asmah; Othman, Puwira; Baba, Roshidah
2015-07-01
Hand dermatitis associated fingerprint changes is a significant problem and affects fingerprint verification processes. This study was done to develop a clinically useful prediction model for fingerprint verification in patients with hand dermatitis. A case-control study involving 100 patients with hand dermatitis. All patients verified their thumbprints against their identity card. Registered fingerprints were randomized into a model derivation and model validation group. Predictive model was derived using multiple logistic regression. Validation was done using the goodness-of-fit test. The fingerprint verification prediction model consists of a major criterion (fingerprint dystrophy area of ≥ 25%) and two minor criteria (long horizontal lines and long vertical lines). The presence of the major criterion predicts it will almost always fail verification, while presence of both minor criteria and presence of one minor criterion predict high and low risk of fingerprint verification failure, respectively. When none of the criteria are met, the fingerprint almost always passes the verification. The area under the receiver operating characteristic curve was 0.937, and the goodness-of-fit test showed agreement between the observed and expected number (P = 0.26). The derived fingerprint verification failure prediction model is validated and highly discriminatory in predicting risk of fingerprint verification in patients with hand dermatitis. © 2014 The International Society of Dermatology.
Massive Predictive Modeling using Oracle R Enterprise
CERN. Geneva
2014-01-01
R is fast becoming the lingua franca for analyzing data via statistics, visualization, and predictive analytics. For enterprise-scale data, R users have three main concerns: scalability, performance, and production deployment. Oracle's R-based technologies - Oracle R Distribution, Oracle R Enterprise, Oracle R Connector for Hadoop, and the R package ROracle - address these concerns. In this talk, we introduce Oracle's R technologies, highlighting how each enables R users to achieve scalability and performance while making production deployment of R results a natural outcome of the data analyst/scientist efforts. The focus then turns to Oracle R Enterprise with code examples using the transparency layer and embedded R execution, targeting massive predictive modeling. One goal behind massive predictive modeling is to build models per entity, such as customers, zip codes, simulations, in an effort to understand behavior and tailor predictions at the entity level. Predictions...
Dinucleotide controlled null models for comparative RNA gene prediction
Directory of Open Access Journals (Sweden)
Gesell Tanja
2008-05-01
Full Text Available Abstract Background Comparative prediction of RNA structures can be used to identify functional noncoding RNAs in genomic screens. It was shown recently by Babak et al. [BMC Bioinformatics. 8:33] that RNA gene prediction programs can be biased by the genomic dinucleotide content, in particular those programs using a thermodynamic folding model including stacking energies. As a consequence, there is need for dinucleotide-preserving control strategies to assess the significance of such predictions. While there have been randomization algorithms for single sequences for many years, the problem has remained challenging for multiple alignments and there is currently no algorithm available. Results We present a program called SISSIz that simulates multiple alignments of a given average dinucleotide content. Meeting additional requirements of an accurate null model, the randomized alignments are on average of the same sequence diversity and preserve local conservation and gap patterns. We make use of a phylogenetic substitution model that includes overlapping dependencies and site-specific rates. Using fast heuristics and a distance based approach, a tree is estimated under this model which is used to guide the simulations. The new algorithm is tested on vertebrate genomic alignments and the effect on RNA structure predictions is studied. In addition, we directly combined the new null model with the RNAalifold consensus folding algorithm giving a new variant of a thermodynamic structure based RNA gene finding program that is not biased by the dinucleotide content. Conclusion SISSIz implements an efficient algorithm to randomize multiple alignments preserving dinucleotide content. It can be used to get more accurate estimates of false positive rates of existing programs, to produce negative controls for the training of machine learning based programs, or as standalone RNA gene finding program. Other applications in comparative genomics that require
Dinucleotide controlled null models for comparative RNA gene prediction.
Gesell, Tanja; Washietl, Stefan
2008-05-27
Comparative prediction of RNA structures can be used to identify functional noncoding RNAs in genomic screens. It was shown recently by Babak et al. [BMC Bioinformatics. 8:33] that RNA gene prediction programs can be biased by the genomic dinucleotide content, in particular those programs using a thermodynamic folding model including stacking energies. As a consequence, there is need for dinucleotide-preserving control strategies to assess the significance of such predictions. While there have been randomization algorithms for single sequences for many years, the problem has remained challenging for multiple alignments and there is currently no algorithm available. We present a program called SISSIz that simulates multiple alignments of a given average dinucleotide content. Meeting additional requirements of an accurate null model, the randomized alignments are on average of the same sequence diversity and preserve local conservation and gap patterns. We make use of a phylogenetic substitution model that includes overlapping dependencies and site-specific rates. Using fast heuristics and a distance based approach, a tree is estimated under this model which is used to guide the simulations. The new algorithm is tested on vertebrate genomic alignments and the effect on RNA structure predictions is studied. In addition, we directly combined the new null model with the RNAalifold consensus folding algorithm giving a new variant of a thermodynamic structure based RNA gene finding program that is not biased by the dinucleotide content. SISSIz implements an efficient algorithm to randomize multiple alignments preserving dinucleotide content. It can be used to get more accurate estimates of false positive rates of existing programs, to produce negative controls for the training of machine learning based programs, or as standalone RNA gene finding program. Other applications in comparative genomics that require randomization of multiple alignments can be considered. SISSIz
Multi-model analysis in hydrological prediction
Lanthier, M.; Arsenault, R.; Brissette, F.
2017-12-01
Hydrologic modelling, by nature, is a simplification of the real-world hydrologic system. Therefore ensemble hydrological predictions thus obtained do not present the full range of possible streamflow outcomes, thereby producing ensembles which demonstrate errors in variance such as under-dispersion. Past studies show that lumped models used in prediction mode can return satisfactory results, especially when there is not enough information available on the watershed to run a distributed model. But all lumped models greatly simplify the complex processes of the hydrologic cycle. To generate more spread in the hydrologic ensemble predictions, multi-model ensembles have been considered. In this study, the aim is to propose and analyse a method that gives an ensemble streamflow prediction that properly represents the forecast probabilities and reduced ensemble bias. To achieve this, three simple lumped models are used to generate an ensemble. These will also be combined using multi-model averaging techniques, which generally generate a more accurate hydrogram than the best of the individual models in simulation mode. This new predictive combined hydrogram is added to the ensemble, thus creating a large ensemble which may improve the variability while also improving the ensemble mean bias. The quality of the predictions is then assessed on different periods: 2 weeks, 1 month, 3 months and 6 months using a PIT Histogram of the percentiles of the real observation volumes with respect to the volumes of the ensemble members. Initially, the models were run using historical weather data to generate synthetic flows. This worked for individual models, but not for the multi-model and for the large ensemble. Consequently, by performing data assimilation at each prediction period and thus adjusting the initial states of the models, the PIT Histogram could be constructed using the observed flows while allowing the use of the multi-model predictions. The under-dispersion has been
Prostate Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing prostate cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Colorectal Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing colorectal cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Esophageal Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing esophageal cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Bladder Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing bladder cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Lung Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing lung cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Breast Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing breast cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Pancreatic Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing pancreatic cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Ovarian Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing ovarian cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Liver Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing liver cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Testicular Cancer Risk Prediction Models
Developing statistical models that estimate the probability of testicular cervical cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Cervical Cancer Risk Prediction Models
Developing statistical models that estimate the probability of developing cervical cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.
Modeling and Prediction Using Stochastic Differential Equations
DEFF Research Database (Denmark)
Juhl, Rune; Møller, Jan Kloppenborg; Jørgensen, John Bagterp
2016-01-01
Pharmacokinetic/pharmakodynamic (PK/PD) modeling for a single subject is most often performed using nonlinear models based on deterministic ordinary differential equations (ODEs), and the variation between subjects in a population of subjects is described using a population (mixed effects) setup...... deterministic and can predict the future perfectly. A more realistic approach would be to allow for randomness in the model due to e.g., the model be too simple or errors in input. We describe a modeling and prediction setup which better reflects reality and suggests stochastic differential equations (SDEs...
Predictive Model of Systemic Toxicity (SOT)
In an effort to ensure chemical safety in light of regulatory advances away from reliance on animal testing, USEPA and L’Oréal have collaborated to develop a quantitative systemic toxicity prediction model. Prediction of human systemic toxicity has proved difficult and remains a ...
Spent fuel: prediction model development
International Nuclear Information System (INIS)
Almassy, M.Y.; Bosi, D.M.; Cantley, D.A.
1979-07-01
The need for spent fuel disposal performance modeling stems from a requirement to assess the risks involved with deep geologic disposal of spent fuel, and to support licensing and public acceptance of spent fuel repositories. Through the balanced program of analysis, diagnostic testing, and disposal demonstration tests, highlighted in this presentation, the goal of defining risks and of quantifying fuel performance during long-term disposal can be attained
Navy Recruit Attrition Prediction Modeling
2014-09-01
have high correlation with attrition, such as age, job characteristics, command climate, marital status, behavior issues prior to recruitment, and the...the additive model. glm(formula = Outcome ~ Age + Gender + Marital + AFQTCat + Pay + Ed + Dep, family = binomial, data = ltraining) Deviance ...0.1 ‘ ‘ 1 (Dispersion parameter for binomial family taken to be 1) Null deviance : 105441 on 85221 degrees of freedom Residual deviance
Predicting and Modeling RNA Architecture
Westhof, Eric; Masquida, Benoît; Jossinet, Fabrice
2011-01-01
SUMMARY A general approach for modeling the architecture of large and structured RNA molecules is described. The method exploits the modularity and the hierarchical folding of RNA architecture that is viewed as the assembly of preformed double-stranded helices defined by Watson-Crick base pairs and RNA modules maintained by non-Watson-Crick base pairs. Despite the extensive molecular neutrality observed in RNA structures, specificity in RNA folding is achieved through global constraints like lengths of helices, coaxiality of helical stacks, and structures adopted at the junctions of helices. The Assemble integrated suite of computer tools allows for sequence and structure analysis as well as interactive modeling by homology or ab initio assembly with possibilities for fitting within electronic density maps. The local key role of non-Watson-Crick pairs guides RNA architecture formation and offers metrics for assessing the accuracy of three-dimensional models in a more useful way than usual root mean square deviation (RMSD) values. PMID:20504963
Predictive Models and Computational Toxicology (II IBAMTOX)
EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...
Finding furfural hydrogenation catalysts via predictive modelling
Strassberger, Z.; Mooijman, M.; Ruijter, E.; Alberts, A.H.; Maldonado, A.G.; Orru, R.V.A.; Rothenberg, G.
2010-01-01
We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes
FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL ...
African Journals Online (AJOL)
FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL STRESSES IN ... the transverse residual stress in the x-direction (σx) had a maximum value of 375MPa ... the finite element method are in fair agreement with the experimental results.
Evaluation of CASP8 model quality predictions
Cozzetto, Domenico; Kryshtafovych, Andriy; Tramontano, Anna
2009-01-01
established a prediction category to evaluate their performance in 2006. In 2008 the experiment was repeated and its results are reported here. Participants were invited to infer the correctness of the protein models submitted by the registered automatic
Mental models accurately predict emotion transitions.
Thornton, Mark A; Tamir, Diana I
2017-06-06
Successful social interactions depend on people's ability to predict others' future actions and emotions. People possess many mechanisms for perceiving others' current emotional states, but how might they use this information to predict others' future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others' emotional dynamics. People could then use these mental models of emotion transitions to predict others' future emotions from currently observable emotions. To test this hypothesis, studies 1-3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants' ratings of emotion transitions predicted others' experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation-valence, social impact, rationality, and human mind-inform participants' mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants' accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone.
Mental models accurately predict emotion transitions
Thornton, Mark A.; Tamir, Diana I.
2017-01-01
Successful social interactions depend on people’s ability to predict others’ future actions and emotions. People possess many mechanisms for perceiving others’ current emotional states, but how might they use this information to predict others’ future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others’ emotional dynamics. People could then use these mental models of emotion transitions to predict others’ future emotions from currently observable emotions. To test this hypothesis, studies 1–3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants’ ratings of emotion transitions predicted others’ experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation—valence, social impact, rationality, and human mind—inform participants’ mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants’ accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone. PMID:28533373
Return Predictability, Model Uncertainty, and Robust Investment
DEFF Research Database (Denmark)
Lukas, Manuel
Stock return predictability is subject to great uncertainty. In this paper we use the model confidence set approach to quantify uncertainty about expected utility from investment, accounting for potential return predictability. For monthly US data and six representative return prediction models, we...... find that confidence sets are very wide, change significantly with the predictor variables, and frequently include expected utilities for which the investor prefers not to invest. The latter motivates a robust investment strategy maximizing the minimal element of the confidence set. The robust investor...... allocates a much lower share of wealth to stocks compared to a standard investor....
Model predictive Controller for Mobile Robot
Alireza Rezaee
2017-01-01
This paper proposes a Model Predictive Controller (MPC) for control of a P2AT mobile robot. MPC refers to a group of controllers that employ a distinctly identical model of process to predict its future behavior over an extended prediction horizon. The design of a MPC is formulated as an optimal control problem. Then this problem is considered as linear quadratic equation (LQR) and is solved by making use of Ricatti equation. To show the effectiveness of the proposed method this controller is...
Spatial Economics Model Predicting Transport Volume
Directory of Open Access Journals (Sweden)
Lu Bo
2016-10-01
Full Text Available It is extremely important to predict the logistics requirements in a scientific and rational way. However, in recent years, the improvement effect on the prediction method is not very significant and the traditional statistical prediction method has the defects of low precision and poor interpretation of the prediction model, which cannot only guarantee the generalization ability of the prediction model theoretically, but also cannot explain the models effectively. Therefore, in combination with the theories of the spatial economics, industrial economics, and neo-classical economics, taking city of Zhuanghe as the research object, the study identifies the leading industry that can produce a large number of cargoes, and further predicts the static logistics generation of the Zhuanghe and hinterlands. By integrating various factors that can affect the regional logistics requirements, this study established a logistics requirements potential model from the aspect of spatial economic principles, and expanded the way of logistics requirements prediction from the single statistical principles to an new area of special and regional economics.
Accuracy assessment of landslide prediction models
International Nuclear Information System (INIS)
Othman, A N; Mohd, W M N W; Noraini, S
2014-01-01
The increasing population and expansion of settlements over hilly areas has greatly increased the impact of natural disasters such as landslide. Therefore, it is important to developed models which could accurately predict landslide hazard zones. Over the years, various techniques and models have been developed to predict landslide hazard zones. The aim of this paper is to access the accuracy of landslide prediction models developed by the authors. The methodology involved the selection of study area, data acquisition, data processing and model development and also data analysis. The development of these models are based on nine different landslide inducing parameters i.e. slope, land use, lithology, soil properties, geomorphology, flow accumulation, aspect, proximity to river and proximity to road. Rank sum, rating, pairwise comparison and AHP techniques are used to determine the weights for each of the parameters used. Four (4) different models which consider different parameter combinations are developed by the authors. Results obtained are compared to landslide history and accuracies for Model 1, Model 2, Model 3 and Model 4 are 66.7, 66.7%, 60% and 22.9% respectively. From the results, rank sum, rating and pairwise comparison can be useful techniques to predict landslide hazard zones
Predictive validation of an influenza spread model.
Directory of Open Access Journals (Sweden)
Ayaz Hyder
Full Text Available BACKGROUND: Modeling plays a critical role in mitigating impacts of seasonal influenza epidemics. Complex simulation models are currently at the forefront of evaluating optimal mitigation strategies at multiple scales and levels of organization. Given their evaluative role, these models remain limited in their ability to predict and forecast future epidemics leading some researchers and public-health practitioners to question their usefulness. The objective of this study is to evaluate the predictive ability of an existing complex simulation model of influenza spread. METHODS AND FINDINGS: We used extensive data on past epidemics to demonstrate the process of predictive validation. This involved generalizing an individual-based model for influenza spread and fitting it to laboratory-confirmed influenza infection data from a single observed epidemic (1998-1999. Next, we used the fitted model and modified two of its parameters based on data on real-world perturbations (vaccination coverage by age group and strain type. Simulating epidemics under these changes allowed us to estimate the deviation/error between the expected epidemic curve under perturbation and observed epidemics taking place from 1999 to 2006. Our model was able to forecast absolute intensity and epidemic peak week several weeks earlier with reasonable reliability and depended on the method of forecasting-static or dynamic. CONCLUSIONS: Good predictive ability of influenza epidemics is critical for implementing mitigation strategies in an effective and timely manner. Through the process of predictive validation applied to a current complex simulation model of influenza spread, we provided users of the model (e.g. public-health officials and policy-makers with quantitative metrics and practical recommendations on mitigating impacts of seasonal influenza epidemics. This methodology may be applied to other models of communicable infectious diseases to test and potentially improve
Predictive Validation of an Influenza Spread Model
Hyder, Ayaz; Buckeridge, David L.; Leung, Brian
2013-01-01
Background Modeling plays a critical role in mitigating impacts of seasonal influenza epidemics. Complex simulation models are currently at the forefront of evaluating optimal mitigation strategies at multiple scales and levels of organization. Given their evaluative role, these models remain limited in their ability to predict and forecast future epidemics leading some researchers and public-health practitioners to question their usefulness. The objective of this study is to evaluate the predictive ability of an existing complex simulation model of influenza spread. Methods and Findings We used extensive data on past epidemics to demonstrate the process of predictive validation. This involved generalizing an individual-based model for influenza spread and fitting it to laboratory-confirmed influenza infection data from a single observed epidemic (1998–1999). Next, we used the fitted model and modified two of its parameters based on data on real-world perturbations (vaccination coverage by age group and strain type). Simulating epidemics under these changes allowed us to estimate the deviation/error between the expected epidemic curve under perturbation and observed epidemics taking place from 1999 to 2006. Our model was able to forecast absolute intensity and epidemic peak week several weeks earlier with reasonable reliability and depended on the method of forecasting-static or dynamic. Conclusions Good predictive ability of influenza epidemics is critical for implementing mitigation strategies in an effective and timely manner. Through the process of predictive validation applied to a current complex simulation model of influenza spread, we provided users of the model (e.g. public-health officials and policy-makers) with quantitative metrics and practical recommendations on mitigating impacts of seasonal influenza epidemics. This methodology may be applied to other models of communicable infectious diseases to test and potentially improve their predictive
Finding Furfural Hydrogenation Catalysts via Predictive Modelling.
Strassberger, Zea; Mooijman, Maurice; Ruijter, Eelco; Alberts, Albert H; Maldonado, Ana G; Orru, Romano V A; Rothenberg, Gadi
2010-09-10
We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes gave varied yields, from 62% up to >99.9%, with no obvious structure/activity correlations. Control experiments proved that the carbene ligand remains coordinated to the ruthenium centre throughout the reaction. Deuterium-labelling studies showed a secondary isotope effect (k(H):k(D)=1.5). Further mechanistic studies showed that this transfer hydrogenation follows the so-called monohydride pathway. Using these data, we built a predictive model for 13 of the catalysts, based on 2D and 3D molecular descriptors. We tested and validated the model using the remaining five catalysts (cross-validation, R(2)=0.913). Then, with this model, the conversion and selectivity were predicted for four completely new ruthenium-carbene complexes. These four catalysts were then synthesized and tested. The results were within 3% of the model's predictions, demonstrating the validity and value of predictive modelling in catalyst optimization.
Corporate prediction models, ratios or regression analysis?
Bijnen, E.J.; Wijn, M.F.C.M.
1994-01-01
The models developed in the literature with respect to the prediction of a company s failure are based on ratios. It has been shown before that these models should be rejected on theoretical grounds. Our study of industrial companies in the Netherlands shows that the ratios which are used in
Predicting Protein Secondary Structure with Markov Models
DEFF Research Database (Denmark)
Fischer, Paul; Larsen, Simon; Thomsen, Claus
2004-01-01
we are considering here, is to predict the secondary structure from the primary one. To this end we train a Markov model on training data and then use it to classify parts of unknown protein sequences as sheets, helices or coils. We show how to exploit the directional information contained...... in the Markov model for this task. Classifications that are purely based on statistical models might not always be biologically meaningful. We present combinatorial methods to incorporate biological background knowledge to enhance the prediction performance....
Energy based prediction models for building acoustics
DEFF Research Database (Denmark)
Brunskog, Jonas
2012-01-01
In order to reach robust and simplified yet accurate prediction models, energy based principle are commonly used in many fields of acoustics, especially in building acoustics. This includes simple energy flow models, the framework of statistical energy analysis (SEA) as well as more elaborated...... principles as, e.g., wave intensity analysis (WIA). The European standards for building acoustic predictions, the EN 12354 series, are based on energy flow and SEA principles. In the present paper, different energy based prediction models are discussed and critically reviewed. Special attention is placed...... on underlying basic assumptions, such as diffuse fields, high modal overlap, resonant field being dominant, etc., and the consequences of these in terms of limitations in the theory and in the practical use of the models....
Comparative Study of Bancruptcy Prediction Models
Directory of Open Access Journals (Sweden)
Isye Arieshanti
2013-09-01
Full Text Available Early indication of bancruptcy is important for a company. If companies aware of potency of their bancruptcy, they can take a preventive action to anticipate the bancruptcy. In order to detect the potency of a bancruptcy, a company can utilize a a model of bancruptcy prediction. The prediction model can be built using a machine learning methods. However, the choice of machine learning methods should be performed carefully. Because the suitability of a model depends on the problem specifically. Therefore, in this paper we perform a comparative study of several machine leaning methods for bancruptcy prediction. According to the comparative study, the performance of several models that based on machine learning methods (k-NN, fuzzy k-NN, SVM, Bagging Nearest Neighbour SVM, Multilayer Perceptron(MLP, Hybrid of MLP + Multiple Linear Regression, it can be showed that fuzzy k-NN method achieve the best performance with accuracy 77.5%
Prediction Models for Dynamic Demand Response
Energy Technology Data Exchange (ETDEWEB)
Aman, Saima; Frincu, Marc; Chelmis, Charalampos; Noor, Muhammad; Simmhan, Yogesh; Prasanna, Viktor K.
2015-11-02
As Smart Grids move closer to dynamic curtailment programs, Demand Response (DR) events will become necessary not only on fixed time intervals and weekdays predetermined by static policies, but also during changing decision periods and weekends to react to real-time demand signals. Unique challenges arise in this context vis-a-vis demand prediction and curtailment estimation and the transformation of such tasks into an automated, efficient dynamic demand response (D^{2}R) process. While existing work has concentrated on increasing the accuracy of prediction models for DR, there is a lack of studies for prediction models for D^{2}R, which we address in this paper. Our first contribution is the formal definition of D^{2}R, and the description of its challenges and requirements. Our second contribution is a feasibility analysis of very-short-term prediction of electricity consumption for D^{2}R over a diverse, large-scale dataset that includes both small residential customers and large buildings. Our third, and major contribution is a set of insights into the predictability of electricity consumption in the context of D^{2}R. Specifically, we focus on prediction models that can operate at a very small data granularity (here 15-min intervals), for both weekdays and weekends - all conditions that characterize scenarios for D^{2}R. We find that short-term time series and simple averaging models used by Independent Service Operators and utilities achieve superior prediction accuracy. We also observe that workdays are more predictable than weekends and holiday. Also, smaller customers have large variation in consumption and are less predictable than larger buildings. Key implications of our findings are that better models are required for small customers and for non-workdays, both of which are critical for D^{2}R. Also, prediction models require just few days’ worth of data indicating that small amounts of
Evaluation of CASP8 model quality predictions
Cozzetto, Domenico
2009-01-01
The model quality assessment problem consists in the a priori estimation of the overall and per-residue accuracy of protein structure predictions. Over the past years, a number of methods have been developed to address this issue and CASP established a prediction category to evaluate their performance in 2006. In 2008 the experiment was repeated and its results are reported here. Participants were invited to infer the correctness of the protein models submitted by the registered automatic servers. Estimates could apply to both whole models and individual amino acids. Groups involved in the tertiary structure prediction categories were also asked to assign local error estimates to each predicted residue in their own models and their results are also discussed here. The correlation between the predicted and observed correctness measures was the basis of the assessment of the results. We observe that consensus-based methods still perform significantly better than those accepting single models, similarly to what was concluded in the previous edition of the experiment. © 2009 WILEY-LISS, INC.
Finding Furfural Hydrogenation Catalysts via Predictive Modelling
Strassberger, Zea; Mooijman, Maurice; Ruijter, Eelco; Alberts, Albert H; Maldonado, Ana G; Orru, Romano V A; Rothenberg, Gadi
2010-01-01
Abstract We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes gave varied yields, from 62% up to >99.9%, with no obvious structure/activity correlations. Control experiments proved that the carbene ligand remains coordinated to the ruthenium centre throughout the reaction. Deuterium-labelling studies showed a secondary isotope effect (kH:kD=1.5). Further mechanistic studies showed that this transfer hydrogenation follows the so-called monohydride pathway. Using these data, we built a predictive model for 13 of the catalysts, based on 2D and 3D molecular descriptors. We tested and validated the model using the remaining five catalysts (cross-validation, R2=0.913). Then, with this model, the conversion and selectivity were predicted for four completely new ruthenium-carbene complexes. These four catalysts were then synthesized and tested. The results were within 3% of the model’s predictions, demonstrating the validity and value of predictive modelling in catalyst optimization. PMID:23193388
Wind farm production prediction - The Zephyr model
Energy Technology Data Exchange (ETDEWEB)
Landberg, L. [Risoe National Lab., Wind Energy Dept., Roskilde (Denmark); Giebel, G. [Risoe National Lab., Wind Energy Dept., Roskilde (Denmark); Madsen, H. [IMM (DTU), Kgs. Lyngby (Denmark); Nielsen, T.S. [IMM (DTU), Kgs. Lyngby (Denmark); Joergensen, J.U. [Danish Meteorologisk Inst., Copenhagen (Denmark); Lauersen, L. [Danish Meteorologisk Inst., Copenhagen (Denmark); Toefting, J. [Elsam, Fredericia (DK); Christensen, H.S. [Eltra, Fredericia (Denmark); Bjerge, C. [SEAS, Haslev (Denmark)
2002-06-01
This report describes a project - funded by the Danish Ministry of Energy and the Environment - which developed a next generation prediction system called Zephyr. The Zephyr system is a merging between two state-of-the-art prediction systems: Prediktor of Risoe National Laboratory and WPPT of IMM at the Danish Technical University. The numerical weather predictions were generated by DMI's HIRLAM model. Due to technical difficulties programming the system, only the computational core and a very simple version of the originally very complex system were developed. The project partners were: Risoe, DMU, DMI, Elsam, Eltra, Elkraft System, SEAS and E2. (au)
Model predictive controller design of hydrocracker reactors
GÖKÇE, Dila
2011-01-01
This study summarizes the design of a Model Predictive Controller (MPC) in Tüpraş, İzmit Refinery Hydrocracker Unit Reactors. Hydrocracking process, in which heavy vacuum gasoil is converted into lighter and valuable products at high temperature and pressure is described briefly. Controller design description, identification and modeling studies are examined and the model variables are presented. WABT (Weighted Average Bed Temperature) equalization and conversion increase are simulate...
Multi-Model Ensemble Wake Vortex Prediction
Koerner, Stephan; Holzaepfel, Frank; Ahmad, Nash'at N.
2015-01-01
Several multi-model ensemble methods are investigated for predicting wake vortex transport and decay. This study is a joint effort between National Aeronautics and Space Administration and Deutsches Zentrum fuer Luft- und Raumfahrt to develop a multi-model ensemble capability using their wake models. An overview of different multi-model ensemble methods and their feasibility for wake applications is presented. The methods include Reliability Ensemble Averaging, Bayesian Model Averaging, and Monte Carlo Simulations. The methodologies are evaluated using data from wake vortex field experiments.
Risk terrain modeling predicts child maltreatment.
Daley, Dyann; Bachmann, Michael; Bachmann, Brittany A; Pedigo, Christian; Bui, Minh-Thuy; Coffman, Jamye
2016-12-01
As indicated by research on the long-term effects of adverse childhood experiences (ACEs), maltreatment has far-reaching consequences for affected children. Effective prevention measures have been elusive, partly due to difficulty in identifying vulnerable children before they are harmed. This study employs Risk Terrain Modeling (RTM), an analysis of the cumulative effect of environmental factors thought to be conducive for child maltreatment, to create a highly accurate prediction model for future substantiated child maltreatment cases in the City of Fort Worth, Texas. The model is superior to commonly used hotspot predictions and more beneficial in aiding prevention efforts in a number of ways: 1) it identifies the highest risk areas for future instances of child maltreatment with improved precision and accuracy; 2) it aids the prioritization of risk-mitigating efforts by informing about the relative importance of the most significant contributing risk factors; 3) since predictions are modeled as a function of easily obtainable data, practitioners do not have to undergo the difficult process of obtaining official child maltreatment data to apply it; 4) the inclusion of a multitude of environmental risk factors creates a more robust model with higher predictive validity; and, 5) the model does not rely on a retrospective examination of past instances of child maltreatment, but adapts predictions to changing environmental conditions. The present study introduces and examines the predictive power of this new tool to aid prevention efforts seeking to improve the safety, health, and wellbeing of vulnerable children. Copyright Â© 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.
PREDICTIVE CAPACITY OF ARCH FAMILY MODELS
Directory of Open Access Journals (Sweden)
Raphael Silveira Amaro
2016-03-01
Full Text Available In the last decades, a remarkable number of models, variants from the Autoregressive Conditional Heteroscedastic family, have been developed and empirically tested, making extremely complex the process of choosing a particular model. This research aim to compare the predictive capacity, using the Model Confidence Set procedure, than five conditional heteroskedasticity models, considering eight different statistical probability distributions. The financial series which were used refers to the log-return series of the Bovespa index and the Dow Jones Industrial Index in the period between 27 October 2008 and 30 December 2014. The empirical evidences showed that, in general, competing models have a great homogeneity to make predictions, either for a stock market of a developed country or for a stock market of a developing country. An equivalent result can be inferred for the statistical probability distributions that were used.
Alcator C-Mod predictive modeling
International Nuclear Information System (INIS)
Pankin, Alexei; Bateman, Glenn; Kritz, Arnold; Greenwald, Martin; Snipes, Joseph; Fredian, Thomas
2001-01-01
Predictive simulations for the Alcator C-mod tokamak [I. Hutchinson et al., Phys. Plasmas 1, 1511 (1994)] are carried out using the BALDUR integrated modeling code [C. E. Singer et al., Comput. Phys. Commun. 49, 275 (1988)]. The results are obtained for temperature and density profiles using the Multi-Mode transport model [G. Bateman et al., Phys. Plasmas 5, 1793 (1998)] as well as the mixed-Bohm/gyro-Bohm transport model [M. Erba et al., Plasma Phys. Controlled Fusion 39, 261 (1997)]. The simulated discharges are characterized by very high plasma density in both low and high modes of confinement. The predicted profiles for each of the transport models match the experimental data about equally well in spite of the fact that the two models have different dimensionless scalings. Average relative rms deviations are less than 8% for the electron density profiles and 16% for the electron and ion temperature profiles
Modelling the predictive performance of credit scoring
Directory of Open Access Journals (Sweden)
Shi-Wei Shen
2013-07-01
Research purpose: The purpose of this empirical paper was to examine the predictive performance of credit scoring systems in Taiwan. Motivation for the study: Corporate lending remains a major business line for financial institutions. However, in light of the recent global financial crises, it has become extremely important for financial institutions to implement rigorous means of assessing clients seeking access to credit facilities. Research design, approach and method: Using a data sample of 10 349 observations drawn between 1992 and 2010, logistic regression models were utilised to examine the predictive performance of credit scoring systems. Main findings: A test of Goodness of fit demonstrated that credit scoring models that incorporated the Taiwan Corporate Credit Risk Index (TCRI, micro- and also macroeconomic variables possessed greater predictive power. This suggests that macroeconomic variables do have explanatory power for default credit risk. Practical/managerial implications: The originality in the study was that three models were developed to predict corporate firms’ defaults based on different microeconomic and macroeconomic factors such as the TCRI, asset growth rates, stock index and gross domestic product. Contribution/value-add: The study utilises different goodness of fits and receiver operator characteristics during the examination of the robustness of the predictive power of these factors.
Comparison of two ordinal prediction models
DEFF Research Database (Denmark)
Kattan, Michael W; Gerds, Thomas A
2015-01-01
system (i.e. old or new), such as the level of evidence for one or more factors included in the system or the general opinions of expert clinicians. However, given the major objective of estimating prognosis on an ordinal scale, we argue that the rival staging system candidates should be compared...... on their ability to predict outcome. We sought to outline an algorithm that would compare two rival ordinal systems on their predictive ability. RESULTS: We devised an algorithm based largely on the concordance index, which is appropriate for comparing two models in their ability to rank observations. We...... demonstrate our algorithm with a prostate cancer staging system example. CONCLUSION: We have provided an algorithm for selecting the preferred staging system based on prognostic accuracy. It appears to be useful for the purpose of selecting between two ordinal prediction models....
Predictive analytics can support the ACO model.
Bradley, Paul
2012-04-01
Predictive analytics can be used to rapidly spot hard-to-identify opportunities to better manage care--a key tool in accountable care. When considering analytics models, healthcare providers should: Make value-based care a priority and act on information from analytics models. Create a road map that includes achievable steps, rather than major endeavors. Set long-term expectations and recognize that the effectiveness of an analytics program takes time, unlike revenue cycle initiatives that may show a quick return.
Predictive performance models and multiple task performance
Wickens, Christopher D.; Larish, Inge; Contorer, Aaron
1989-01-01
Five models that predict how performance of multiple tasks will interact in complex task scenarios are discussed. The models are shown in terms of the assumptions they make about human operator divided attention. The different assumptions about attention are then empirically validated in a multitask helicopter flight simulation. It is concluded from this simulation that the most important assumption relates to the coding of demand level of different component tasks.
Model Predictive Control of Sewer Networks
DEFF Research Database (Denmark)
Pedersen, Einar B.; Herbertsson, Hannes R.; Niemann, Henrik
2016-01-01
The developments in solutions for management of urban drainage are of vital importance, as the amount of sewer water from urban areas continues to increase due to the increase of the world’s population and the change in the climate conditions. How a sewer network is structured, monitored and cont...... benchmark model. Due to the inherent constraints the applied approach is based on Model Predictive Control....
Distributed Model Predictive Control via Dual Decomposition
DEFF Research Database (Denmark)
Biegel, Benjamin; Stoustrup, Jakob; Andersen, Palle
2014-01-01
This chapter presents dual decomposition as a means to coordinate a number of subsystems coupled by state and input constraints. Each subsystem is equipped with a local model predictive controller while a centralized entity manages the subsystems via prices associated with the coupling constraints...
A stepwise model to predict monthly streamflow
Mahmood Al-Juboori, Anas; Guven, Aytac
2016-12-01
In this study, a stepwise model empowered with genetic programming is developed to predict the monthly flows of Hurman River in Turkey and Diyalah and Lesser Zab Rivers in Iraq. The model divides the monthly flow data to twelve intervals representing the number of months in a year. The flow of a month, t is considered as a function of the antecedent month's flow (t - 1) and it is predicted by multiplying the antecedent monthly flow by a constant value called K. The optimum value of K is obtained by a stepwise procedure which employs Gene Expression Programming (GEP) and Nonlinear Generalized Reduced Gradient Optimization (NGRGO) as alternative to traditional nonlinear regression technique. The degree of determination and root mean squared error are used to evaluate the performance of the proposed models. The results of the proposed model are compared with the conventional Markovian and Auto Regressive Integrated Moving Average (ARIMA) models based on observed monthly flow data. The comparison results based on five different statistic measures show that the proposed stepwise model performed better than Markovian model and ARIMA model. The R2 values of the proposed model range between 0.81 and 0.92 for the three rivers in this study.
Rasti, Behnam; Namazi, Mohsen; Karimi-Jafari, M H; Ghasemi, Jahan B
2017-04-01
Due to its physiological and clinical roles, carbonic anhydrase (CA) is one of the most interesting case studies. There are different classes of CAinhibitors including sulfonamides, polyamines, coumarins and dithiocarbamates (DTCs). However, many of them hardly act as a selective inhibitor against a specific isoform. Therefore, finding highly selective inhibitors for different isoforms of CA is still an ongoing project. Proteochemometrics modeling (PCM) is able to model the bioactivity of multiple compounds against different isoforms of a protein. Therefore, it would be extremely applicable when investigating the selectivity of different ligands towards different receptors. Given the facts, we applied PCM to investigate the interaction space and structural properties that lead to the selective inhibition of CA isoforms by some dithiocarbamates. Our models have provided interesting structural information that can be considered to design compounds capable of inhibiting different isoforms of CA in an improved selective manner. Validity and predictivity of the models were confirmed by both internal and external validation methods; while Y-scrambling approach was applied to assess the robustness of the models. To prove the reliability and the applicability of our findings, we showed how ligands-receptors selectivity can be affected by removing any of these critical findings from the modeling process. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Electrostatic ion thrusters - towards predictive modeling
Energy Technology Data Exchange (ETDEWEB)
Kalentev, O.; Matyash, K.; Duras, J.; Lueskow, K.F.; Schneider, R. [Ernst-Moritz-Arndt Universitaet Greifswald, D-17489 (Germany); Koch, N. [Technische Hochschule Nuernberg Georg Simon Ohm, Kesslerplatz 12, D-90489 Nuernberg (Germany); Schirra, M. [Thales Electronic Systems GmbH, Soeflinger Strasse 100, D-89077 Ulm (Germany)
2014-02-15
The development of electrostatic ion thrusters so far has mainly been based on empirical and qualitative know-how, and on evolutionary iteration steps. This resulted in considerable effort regarding prototype design, construction and testing and therefore in significant development and qualification costs and high time demands. For future developments it is anticipated to implement simulation tools which allow for quantitative prediction of ion thruster performance, long-term behavior and space craft interaction prior to hardware design and construction. Based on integrated numerical models combining self-consistent kinetic plasma models with plasma-wall interaction modules a new quality in the description of electrostatic thrusters can be reached. These open the perspective for predictive modeling in this field. This paper reviews the application of a set of predictive numerical modeling tools on an ion thruster model of the HEMP-T (High Efficiency Multi-stage Plasma Thruster) type patented by Thales Electron Devices GmbH. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
An Intelligent Model for Stock Market Prediction
Directory of Open Access Journals (Sweden)
IbrahimM. Hamed
2012-08-01
Full Text Available This paper presents an intelligent model for stock market signal prediction using Multi-Layer Perceptron (MLP Artificial Neural Networks (ANN. Blind source separation technique, from signal processing, is integrated with the learning phase of the constructed baseline MLP ANN to overcome the problems of prediction accuracy and lack of generalization. Kullback Leibler Divergence (KLD is used, as a learning algorithm, because it converges fast and provides generalization in the learning mechanism. Both accuracy and efficiency of the proposed model were confirmed through the Microsoft stock, from wall-street market, and various data sets, from different sectors of the Egyptian stock market. In addition, sensitivity analysis was conducted on the various parameters of the model to ensure the coverage of the generalization issue. Finally, statistical significance was examined using ANOVA test.
Predictive Models, How good are they?
DEFF Research Database (Denmark)
Kasch, Helge
The WAD grading system has been used for more than 20 years by now. It has shown long-term viability, but with strengths and limitations. New bio-psychosocial assessment of the acute whiplash injured subject may provide better prediction of long-term disability and pain. Furthermore, the emerging......-up. It is important to obtain prospective identification of the relevant risk underreported disability could, if we were able to expose these hidden “risk-factors” during our consultations, provide us with better predictive models. New data from large clinical studies will present exciting new genetic risk markers...
NONLINEAR MODEL PREDICTIVE CONTROL OF CHEMICAL PROCESSES
Directory of Open Access Journals (Sweden)
SILVA R. G.
1999-01-01
Full Text Available A new algorithm for model predictive control is presented. The algorithm utilizes a simultaneous solution and optimization strategy to solve the model's differential equations. The equations are discretized by equidistant collocation, and along with the algebraic model equations are included as constraints in a nonlinear programming (NLP problem. This algorithm is compared with the algorithm that uses orthogonal collocation on finite elements. The equidistant collocation algorithm results in simpler equations, providing a decrease in computation time for the control moves. Simulation results are presented and show a satisfactory performance of this algorithm.
A statistical model for predicting muscle performance
Byerly, Diane Leslie De Caix
The objective of these studies was to develop a capability for predicting muscle performance and fatigue to be utilized for both space- and ground-based applications. To develop this predictive model, healthy test subjects performed a defined, repetitive dynamic exercise to failure using a Lordex spinal machine. Throughout the exercise, surface electromyography (SEMG) data were collected from the erector spinae using a Mega Electronics ME3000 muscle tester and surface electrodes placed on both sides of the back muscle. These data were analyzed using a 5th order Autoregressive (AR) model and statistical regression analysis. It was determined that an AR derived parameter, the mean average magnitude of AR poles, significantly correlated with the maximum number of repetitions (designated Rmax) that a test subject was able to perform. Using the mean average magnitude of AR poles, a test subject's performance to failure could be predicted as early as the sixth repetition of the exercise. This predictive model has the potential to provide a basis for improving post-space flight recovery, monitoring muscle atrophy in astronauts and assessing the effectiveness of countermeasures, monitoring astronaut performance and fatigue during Extravehicular Activity (EVA) operations, providing pre-flight assessment of the ability of an EVA crewmember to perform a given task, improving the design of training protocols and simulations for strenuous International Space Station assembly EVA, and enabling EVA work task sequences to be planned enhancing astronaut performance and safety. Potential ground-based, medical applications of the predictive model include monitoring muscle deterioration and performance resulting from illness, establishing safety guidelines in the industry for repetitive tasks, monitoring the stages of rehabilitation for muscle-related injuries sustained in sports and accidents, and enhancing athletic performance through improved training protocols while reducing
Prediction models : the right tool for the right problem
Kappen, Teus H.; Peelen, Linda M.
2016-01-01
PURPOSE OF REVIEW: Perioperative prediction models can help to improve personalized patient care by providing individual risk predictions to both patients and providers. However, the scientific literature on prediction model development and validation can be quite technical and challenging to
Neuro-fuzzy modeling in bankruptcy prediction
Directory of Open Access Journals (Sweden)
Vlachos D.
2003-01-01
Full Text Available For the past 30 years the problem of bankruptcy prediction had been thoroughly studied. From the paper of Altman in 1968 to the recent papers in the '90s, the progress of prediction accuracy was not satisfactory. This paper investigates an alternative modeling of the system (firm, combining neural networks and fuzzy controllers, i.e. using neuro-fuzzy models. Classical modeling is based on mathematical models that describe the behavior of the firm under consideration. The main idea of fuzzy control, on the other hand, is to build a model of a human control expert who is capable of controlling the process without thinking in a mathematical model. This control expert specifies his control action in the form of linguistic rules. These control rules are translated into the framework of fuzzy set theory providing a calculus, which can stimulate the behavior of the control expert and enhance its performance. The accuracy of the model is studied using datasets from previous research papers.
Flisgen, Thomas
2015-01-01
The modeling of large chains of superconducting cavities with couplers is a challeng- ing task in computational electrical engineering. The direct numerical treatment of these structures can easily lead to problems with more than ten million degrees of freedom. Problems of this complexity are typically solved with the help of parallel programs running on supercomputing infrastructures. However, these infrastructures are expensive to purchase, to operate, and to maintain. The aim of this thesis is to introduce and to validate an approach which allows for modeling large structures on a standard workstation. The novel technique is called State-Space Concatena- tions and is based on the decomposition of the complete structure into individual segments. The radio-frequency properties of the generated segments are described by a set of state-space equations which either emerge from analytical considera- tions or from numerical discretization schemes. The model order of these equations is reduced...
Predictive Models for Carcinogenicity and Mutagenicity ...
Mutagenicity and carcinogenicity are endpoints of major environmental and regulatory concern. These endpoints are also important targets for development of alternative methods for screening and prediction due to the large number of chemicals of potential concern and the tremendous cost (in time, money, animals) of rodent carcinogenicity bioassays. Both mutagenicity and carcinogenicity involve complex, cellular processes that are only partially understood. Advances in technologies and generation of new data will permit a much deeper understanding. In silico methods for predicting mutagenicity and rodent carcinogenicity based on chemical structural features, along with current mutagenicity and carcinogenicity data sets, have performed well for local prediction (i.e., within specific chemical classes), but are less successful for global prediction (i.e., for a broad range of chemicals). The predictivity of in silico methods can be improved by improving the quality of the data base and endpoints used for modelling. In particular, in vitro assays for clastogenicity need to be improved to reduce false positives (relative to rodent carcinogenicity) and to detect compounds that do not interact directly with DNA or have epigenetic activities. New assays emerging to complement or replace some of the standard assays include VitotoxTM, GreenScreenGC, and RadarScreen. The needs of industry and regulators to assess thousands of compounds necessitate the development of high-t
Validated predictive modelling of the environmental resistome.
Amos, Gregory C A; Gozzard, Emma; Carter, Charlotte E; Mead, Andrew; Bowes, Mike J; Hawkey, Peter M; Zhang, Lihong; Singer, Andrew C; Gaze, William H; Wellington, Elizabeth M H
2015-06-01
Multi-drug-resistant bacteria pose a significant threat to public health. The role of the environment in the overall rise in antibiotic-resistant infections and risk to humans is largely unknown. This study aimed to evaluate drivers of antibiotic-resistance levels across the River Thames catchment, model key biotic, spatial and chemical variables and produce predictive models for future risk assessment. Sediment samples from 13 sites across the River Thames basin were taken at four time points across 2011 and 2012. Samples were analysed for class 1 integron prevalence and enumeration of third-generation cephalosporin-resistant bacteria. Class 1 integron prevalence was validated as a molecular marker of antibiotic resistance; levels of resistance showed significant geospatial and temporal variation. The main explanatory variables of resistance levels at each sample site were the number, proximity, size and type of surrounding wastewater-treatment plants. Model 1 revealed treatment plants accounted for 49.5% of the variance in resistance levels. Other contributing factors were extent of different surrounding land cover types (for example, Neutral Grassland), temporal patterns and prior rainfall; when modelling all variables the resulting model (Model 2) could explain 82.9% of variations in resistance levels in the whole catchment. Chemical analyses correlated with key indicators of treatment plant effluent and a model (Model 3) was generated based on water quality parameters (contaminant and macro- and micro-nutrient levels). Model 2 was beta tested on independent sites and explained over 78% of the variation in integron prevalence showing a significant predictive ability. We believe all models in this study are highly useful tools for informing and prioritising mitigation strategies to reduce the environmental resistome.
Nonlinear model predictive control theory and algorithms
Grüne, Lars
2017-01-01
This book offers readers a thorough and rigorous introduction to nonlinear model predictive control (NMPC) for discrete-time and sampled-data systems. NMPC schemes with and without stabilizing terminal constraints are detailed, and intuitive examples illustrate the performance of different NMPC variants. NMPC is interpreted as an approximation of infinite-horizon optimal control so that important properties like closed-loop stability, inverse optimality and suboptimality can be derived in a uniform manner. These results are complemented by discussions of feasibility and robustness. An introduction to nonlinear optimal control algorithms yields essential insights into how the nonlinear optimization routine—the core of any nonlinear model predictive controller—works. Accompanying software in MATLAB® and C++ (downloadable from extras.springer.com/), together with an explanatory appendix in the book itself, enables readers to perform computer experiments exploring the possibilities and limitations of NMPC. T...
Baryogenesis model predicting antimatter in the Universe
International Nuclear Information System (INIS)
Kirilova, D.
2003-01-01
Cosmic ray and gamma-ray data do not rule out antimatter domains in the Universe, separated at distances bigger than 10 Mpc from us. Hence, it is interesting to analyze the possible generation of vast antimatter structures during the early Universe evolution. We discuss a SUSY-condensate baryogenesis model, predicting large separated regions of matter and antimatter. The model provides generation of the small locally observed baryon asymmetry for a natural initial conditions, it predicts vast antimatter domains, separated from the matter ones by baryonically empty voids. The characteristic scale of antimatter regions and their distance from the matter ones is in accordance with observational constraints from cosmic ray, gamma-ray and cosmic microwave background anisotropy data
Finding Furfural Hydrogenation Catalysts via Predictive Modelling
Strassberger, Zea; Mooijman, Maurice; Ruijter, Eelco; Alberts, Albert H; Maldonado, Ana G; Orru, Romano V A; Rothenberg, Gadi
2010-01-01
Abstract We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes gave varied yields, from 62% up to >99.9%, with no obvious structure/activity correlations. Control experiments proved that the carbene ligand remains coordinated to the ruthenium centre t...
Predictive Modeling in Actinide Chemistry and Catalysis
Energy Technology Data Exchange (ETDEWEB)
Yang, Ping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-05-16
These are slides from a presentation on predictive modeling in actinide chemistry and catalysis. The following topics are covered in these slides: Structures, bonding, and reactivity (bonding can be quantified by optical probes and theory, and electronic structures and reaction mechanisms of actinide complexes); Magnetic resonance properties (transition metal catalysts with multi-nuclear centers, and NMR/EPR parameters); Moving to more complex systems (surface chemistry of nanomaterials, and interactions of ligands with nanoparticles); Path forward and conclusions.
Tectonic predictions with mantle convection models
Coltice, Nicolas; Shephard, Grace E.
2018-04-01
Over the past 15 yr, numerical models of convection in Earth's mantle have made a leap forward: they can now produce self-consistent plate-like behaviour at the surface together with deep mantle circulation. These digital tools provide a new window into the intimate connections between plate tectonics and mantle dynamics, and can therefore be used for tectonic predictions, in principle. This contribution explores this assumption. First, initial conditions at 30, 20, 10 and 0 Ma are generated by driving a convective flow with imposed plate velocities at the surface. We then compute instantaneous mantle flows in response to the guessed temperature fields without imposing any boundary conditions. Plate boundaries self-consistently emerge at correct locations with respect to reconstructions, except for small plates close to subduction zones. As already observed for other types of instantaneous flow calculations, the structure of the top boundary layer and upper-mantle slab is the dominant character that leads to accurate predictions of surface velocities. Perturbations of the rheological parameters have little impact on the resulting surface velocities. We then compute fully dynamic model evolution from 30 and 10 to 0 Ma, without imposing plate boundaries or plate velocities. Contrary to instantaneous calculations, errors in kinematic predictions are substantial, although the plate layout and kinematics in several areas remain consistent with the expectations for the Earth. For these calculations, varying the rheological parameters makes a difference for plate boundary evolution. Also, identified errors in initial conditions contribute to first-order kinematic errors. This experiment shows that the tectonic predictions of dynamic models over 10 My are highly sensitive to uncertainties of rheological parameters and initial temperature field in comparison to instantaneous flow calculations. Indeed, the initial conditions and the rheological parameters can be good enough
Breast cancer risks and risk prediction models.
Engel, Christoph; Fischer, Christine
2015-02-01
BRCA1/2 mutation carriers have a considerably increased risk to develop breast and ovarian cancer. The personalized clinical management of carriers and other at-risk individuals depends on precise knowledge of the cancer risks. In this report, we give an overview of the present literature on empirical cancer risks, and we describe risk prediction models that are currently used for individual risk assessment in clinical practice. Cancer risks show large variability between studies. Breast cancer risks are at 40-87% for BRCA1 mutation carriers and 18-88% for BRCA2 mutation carriers. For ovarian cancer, the risk estimates are in the range of 22-65% for BRCA1 and 10-35% for BRCA2. The contralateral breast cancer risk is high (10-year risk after first cancer 27% for BRCA1 and 19% for BRCA2). Risk prediction models have been proposed to provide more individualized risk prediction, using additional knowledge on family history, mode of inheritance of major genes, and other genetic and non-genetic risk factors. User-friendly software tools have been developed that serve as basis for decision-making in family counseling units. In conclusion, further assessment of cancer risks and model validation is needed, ideally based on prospective cohort studies. To obtain such data, clinical management of carriers and other at-risk individuals should always be accompanied by standardized scientific documentation.
A predictive model for dimensional errors in fused deposition modeling
DEFF Research Database (Denmark)
Stolfi, A.
2015-01-01
This work concerns the effect of deposition angle (a) and layer thickness (L) on the dimensional performance of FDM parts using a predictive model based on the geometrical description of the FDM filament profile. An experimental validation over the whole a range from 0° to 177° at 3° steps and two...... values of L (0.254 mm, 0.330 mm) was produced by comparing predicted values with external face-to-face measurements. After removing outliers, the results show that the developed two-parameter model can serve as tool for modeling the FDM dimensional behavior in a wide range of deposition angles....
Two stage neural network modelling for robust model predictive control.
Patan, Krzysztof
2018-01-01
The paper proposes a novel robust model predictive control scheme realized by means of artificial neural networks. The neural networks are used twofold: to design the so-called fundamental model of a plant and to catch uncertainty associated with the plant model. In order to simplify the optimization process carried out within the framework of predictive control an instantaneous linearization is applied which renders it possible to define the optimization problem in the form of constrained quadratic programming. Stability of the proposed control system is also investigated by showing that a cost function is monotonically decreasing with respect to time. Derived robust model predictive control is tested and validated on the example of a pneumatic servomechanism working at different operating regimes. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.
Predicting extinction rates in stochastic epidemic models
International Nuclear Information System (INIS)
Schwartz, Ira B; Billings, Lora; Dykman, Mark; Landsman, Alexandra
2009-01-01
We investigate the stochastic extinction processes in a class of epidemic models. Motivated by the process of natural disease extinction in epidemics, we examine the rate of extinction as a function of disease spread. We show that the effective entropic barrier for extinction in a susceptible–infected–susceptible epidemic model displays scaling with the distance to the bifurcation point, with an unusual critical exponent. We make a direct comparison between predictions and numerical simulations. We also consider the effect of non-Gaussian vaccine schedules, and show numerically how the extinction process may be enhanced when the vaccine schedules are Poisson distributed
Predictive Modeling of the CDRA 4BMS
Coker, Robert F.; Knox, James C.
2016-01-01
As part of NASA's Advanced Exploration Systems (AES) program and the Life Support Systems Project (LSSP), fully predictive models of the Four Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS) are being developed. This virtual laboratory will be used to help reduce mass, power, and volume requirements for future missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future crewed Mars missions as well as the resolution of anomalies observed in the ISS CDRA.
Data Driven Economic Model Predictive Control
Directory of Open Access Journals (Sweden)
Masoud Kheradmandi
2018-04-01
Full Text Available This manuscript addresses the problem of data driven model based economic model predictive control (MPC design. To this end, first, a data-driven Lyapunov-based MPC is designed, and shown to be capable of stabilizing a system at an unstable equilibrium point. The data driven Lyapunov-based MPC utilizes a linear time invariant (LTI model cognizant of the fact that the training data, owing to the unstable nature of the equilibrium point, has to be obtained from closed-loop operation or experiments. Simulation results are first presented demonstrating closed-loop stability under the proposed data-driven Lyapunov-based MPC. The underlying data-driven model is then utilized as the basis to design an economic MPC. The economic improvements yielded by the proposed method are illustrated through simulations on a nonlinear chemical process system example.
Directory of Open Access Journals (Sweden)
Vaisman Iosif I
2010-10-01
Full Text Available Abstract Background HIV-1 targets human cells expressing both the CD4 receptor, which binds the viral envelope glycoprotein gp120, as well as either the CCR5 (R5 or CXCR4 (X4 co-receptors, which interact primarily with the third hypervariable loop (V3 loop of gp120. Determination of HIV-1 affinity for either the R5 or X4 co-receptor on host cells facilitates the inclusion of co-receptor antagonists as a part of patient treatment strategies. A dataset of 1193 distinct gp120 V3 loop peptide sequences (989 R5-utilizing, 204 X4-capable is utilized to train predictive classifiers based on implementations of random forest, support vector machine, boosted decision tree, and neural network machine learning algorithms. An in silico mutagenesis procedure employing multibody statistical potentials, computational geometry, and threading of variant V3 sequences onto an experimental structure, is used to generate a feature vector representation for each variant whose components measure environmental perturbations at corresponding structural positions. Results Classifier performance is evaluated based on stratified 10-fold cross-validation, stratified dataset splits (2/3 training, 1/3 validation, and leave-one-out cross-validation. Best reported values of sensitivity (85%, specificity (100%, and precision (98% for predicting X4-capable HIV-1 virus, overall accuracy (97%, Matthew's correlation coefficient (89%, balanced error rate (0.08, and ROC area (0.97 all reach critical thresholds, suggesting that the models outperform six other state-of-the-art methods and come closer to competing with phenotype assays. Conclusions The trained classifiers provide instantaneous and reliable predictions regarding HIV-1 co-receptor usage, requiring only translated V3 loop genotypes as input. Furthermore, the novelty of these computational mutagenesis based predictor attributes distinguishes the models as orthogonal and complementary to previous methods that utilize sequence
Plant control using embedded predictive models
International Nuclear Information System (INIS)
Godbole, S.S.; Gabler, W.E.; Eschbach, S.L.
1990-01-01
B and W recently undertook the design of an advanced light water reactor control system. A concept new to nuclear steam system (NSS) control was developed. The concept, which is called the Predictor-Corrector, uses mathematical models of portions of the controlled NSS to calculate, at various levels within the system, demand and control element position signals necessary to satisfy electrical demand. The models give the control system the ability to reduce overcooling and undercooling of the reactor coolant system during transients and upsets. Two types of mathematical models were developed for use in designing and testing the control system. One model was a conventional, comprehensive NSS model that responds to control system outputs and calculates the resultant changes in plant variables that are then used as inputs to the control system. Two other models, embedded in the control system, were less conventional, inverse models. These models accept as inputs plant variables, equipment states, and demand signals and predict plant operating conditions and control element states that will satisfy the demands. This paper reports preliminary results of closed-loop Reactor Coolant (RC) pump trip and normal load reduction testing of the advanced concept. Results of additional transient testing, and of open and closed loop stability analyses will be reported as they are available
Ground Motion Prediction Models for Caucasus Region
Jorjiashvili, Nato; Godoladze, Tea; Tvaradze, Nino; Tumanova, Nino
2016-04-01
Ground motion prediction models (GMPMs) relate ground motion intensity measures to variables describing earthquake source, path, and site effects. Estimation of expected ground motion is a fundamental earthquake hazard assessment. The most commonly used parameter for attenuation relation is peak ground acceleration or spectral acceleration because this parameter gives useful information for Seismic Hazard Assessment. Since 2003 development of Georgian Digital Seismic Network has started. In this study new GMP models are obtained based on new data from Georgian seismic network and also from neighboring countries. Estimation of models is obtained by classical, statistical way, regression analysis. In this study site ground conditions are additionally considered because the same earthquake recorded at the same distance may cause different damage according to ground conditions. Empirical ground-motion prediction models (GMPMs) require adjustment to make them appropriate for site-specific scenarios. However, the process of making such adjustments remains a challenge. This work presents a holistic framework for the development of a peak ground acceleration (PGA) or spectral acceleration (SA) GMPE that is easily adjustable to different seismological conditions and does not suffer from the practical problems associated with adjustments in the response spectral domain.
Modeling and Prediction of Krueger Device Noise
Guo, Yueping; Burley, Casey L.; Thomas, Russell H.
2016-01-01
This paper presents the development of a noise prediction model for aircraft Krueger flap devices that are considered as alternatives to leading edge slotted slats. The prediction model decomposes the total Krueger noise into four components, generated by the unsteady flows, respectively, in the cove under the pressure side surface of the Krueger, in the gap between the Krueger trailing edge and the main wing, around the brackets supporting the Krueger device, and around the cavity on the lower side of the main wing. For each noise component, the modeling follows a physics-based approach that aims at capturing the dominant noise-generating features in the flow and developing correlations between the noise and the flow parameters that control the noise generation processes. The far field noise is modeled using each of the four noise component's respective spectral functions, far field directivities, Mach number dependencies, component amplitudes, and other parametric trends. Preliminary validations are carried out by using small scale experimental data, and two applications are discussed; one for conventional aircraft and the other for advanced configurations. The former focuses on the parametric trends of Krueger noise on design parameters, while the latter reveals its importance in relation to other airframe noise components.
Prediction of Chemical Function: Model Development and ...
The United States Environmental Protection Agency’s Exposure Forecaster (ExpoCast) project is developing both statistical and mechanism-based computational models for predicting exposures to thousands of chemicals, including those in consumer products. The high-throughput (HT) screening-level exposures developed under ExpoCast can be combined with HT screening (HTS) bioactivity data for the risk-based prioritization of chemicals for further evaluation. The functional role (e.g. solvent, plasticizer, fragrance) that a chemical performs can drive both the types of products in which it is found and the concentration in which it is present and therefore impacting exposure potential. However, critical chemical use information (including functional role) is lacking for the majority of commercial chemicals for which exposure estimates are needed. A suite of machine-learning based models for classifying chemicals in terms of their likely functional roles in products based on structure were developed. This effort required collection, curation, and harmonization of publically-available data sources of chemical functional use information from government and industry bodies. Physicochemical and structure descriptor data were generated for chemicals with function data. Machine-learning classifier models for function were then built in a cross-validated manner from the descriptor/function data using the method of random forests. The models were applied to: 1) predict chemi
Evaluating Predictive Models of Software Quality
Ciaschini, V.; Canaparo, M.; Ronchieri, E.; Salomoni, D.
2014-06-01
Applications from High Energy Physics scientific community are constantly growing and implemented by a large number of developers. This implies a strong churn on the code and an associated risk of faults, which is unavoidable as long as the software undergoes active evolution. However, the necessities of production systems run counter to this. Stability and predictability are of paramount importance; in addition, a short turn-around time for the defect discovery-correction-deployment cycle is required. A way to reconcile these opposite foci is to use a software quality model to obtain an approximation of the risk before releasing a program to only deliver software with a risk lower than an agreed threshold. In this article we evaluated two quality predictive models to identify the operational risk and the quality of some software products. We applied these models to the development history of several EMI packages with intent to discover the risk factor of each product and compare it with its real history. We attempted to determine if the models reasonably maps reality for the applications under evaluation, and finally we concluded suggesting directions for further studies.
Predicting FLDs Using a Multiscale Modeling Scheme
Wu, Z.; Loy, C.; Wang, E.; Hegadekatte, V.
2017-09-01
The measurement of a single forming limit diagram (FLD) requires significant resources and is time consuming. We have developed a multiscale modeling scheme to predict FLDs using a combination of limited laboratory testing, crystal plasticity (VPSC) modeling, and dual sequential-stage finite element (ABAQUS/Explicit) modeling with the Marciniak-Kuczynski (M-K) criterion to determine the limit strain. We have established a means to work around existing limitations in ABAQUS/Explicit by using an anisotropic yield locus (e.g., BBC2008) in combination with the M-K criterion. We further apply a VPSC model to reduce the number of laboratory tests required to characterize the anisotropic yield locus. In the present work, we show that the predicted FLD is in excellent agreement with the measured FLD for AA5182 in the O temper. Instead of 13 different tests as for a traditional FLD determination within Novelis, our technique uses just four measurements: tensile properties in three orientations; plane strain tension; biaxial bulge; and the sheet crystallographic texture. The turnaround time is consequently far less than for the traditional laboratory measurement of the FLD.
PREDICTION MODELS OF GRAIN YIELD AND CHARACTERIZATION
Directory of Open Access Journals (Sweden)
Narciso Ysac Avila Serrano
2009-06-01
Full Text Available With the objective to characterize the grain yield of five cowpea cultivars and to find linear regression models to predict it, a study was developed in La Paz, Baja California Sur, Mexico. A complete randomized blocks design was used. Simple and multivariate analyses of variance were carried out using the canonical variables to characterize the cultivars. The variables cluster per plant, pods per plant, pods per cluster, seeds weight per plant, seeds hectoliter weight, 100-seed weight, seeds length, seeds wide, seeds thickness, pods length, pods wide, pods weight, seeds per pods, and seeds weight per pods, showed significant differences (Pâ‰¤ 0.05 among cultivars. PaceÃ±o and IT90K-277-2 cultivars showed the higher seeds weight per plant. The linear regression models showed correlation coefficients â‰¥0.92. In these models, the seeds weight per plant, pods per cluster, pods per plant, cluster per plant and pods length showed significant correlations (Pâ‰¤ 0.05. In conclusion, the results showed that grain yield differ among cultivars and for its estimation, the prediction models showed determination coefficients highly dependable.
Evaluating predictive models of software quality
International Nuclear Information System (INIS)
Ciaschini, V; Canaparo, M; Ronchieri, E; Salomoni, D
2014-01-01
Applications from High Energy Physics scientific community are constantly growing and implemented by a large number of developers. This implies a strong churn on the code and an associated risk of faults, which is unavoidable as long as the software undergoes active evolution. However, the necessities of production systems run counter to this. Stability and predictability are of paramount importance; in addition, a short turn-around time for the defect discovery-correction-deployment cycle is required. A way to reconcile these opposite foci is to use a software quality model to obtain an approximation of the risk before releasing a program to only deliver software with a risk lower than an agreed threshold. In this article we evaluated two quality predictive models to identify the operational risk and the quality of some software products. We applied these models to the development history of several EMI packages with intent to discover the risk factor of each product and compare it with its real history. We attempted to determine if the models reasonably maps reality for the applications under evaluation, and finally we concluded suggesting directions for further studies.
Gamma-Ray Pulsars Models and Predictions
Harding, A K
2001-01-01
Pulsed emission from gamma-ray pulsars originates inside the magnetosphere, from radiation by charged particles accelerated near the magnetic poles or in the outer gaps. In polar cap models, the high energy spectrum is cut off by magnetic pair production above an energy that is dependent on the local magnetic field strength. While most young pulsars with surface fields in the range B = 10^{12} - 10^{13} G are expected to have high energy cutoffs around several GeV, the gamma-ray spectra of old pulsars having lower surface fields may extend to 50 GeV. Although the gamma-ray emission of older pulsars is weaker, detecting pulsed emission at high energies from nearby sources would be an important confirmation of polar cap models. Outer gap models predict more gradual high-energy turnovers at around 10 GeV, but also predict an inverse Compton component extending to TeV energies. Detection of pulsed TeV emission, which would not survive attenuation at the polar caps, is thus an important test of outer gap models. N...
Artificial Neural Network Model for Predicting Compressive
Directory of Open Access Journals (Sweden)
Salim T. Yousif
2013-05-01
Full Text Available Compressive strength of concrete is a commonly used criterion in evaluating concrete. Although testing of the compressive strength of concrete specimens is done routinely, it is performed on the 28th day after concrete placement. Therefore, strength estimation of concrete at early time is highly desirable. This study presents the effort in applying neural network-based system identification techniques to predict the compressive strength of concrete based on concrete mix proportions, maximum aggregate size (MAS, and slump of fresh concrete. Back-propagation neural networks model is successively developed, trained, and tested using actual data sets of concrete mix proportions gathered from literature. The test of the model by un-used data within the range of input parameters shows that the maximum absolute error for model is about 20% and 88% of the output results has absolute errors less than 10%. The parametric study shows that water/cement ratio (w/c is the most significant factor affecting the output of the model. The results showed that neural networks has strong potential as a feasible tool for predicting compressive strength of concrete.
Clinical Predictive Modeling Development and Deployment through FHIR Web Services.
Khalilia, Mohammed; Choi, Myung; Henderson, Amelia; Iyengar, Sneha; Braunstein, Mark; Sun, Jimeng
2015-01-01
Clinical predictive modeling involves two challenging tasks: model development and model deployment. In this paper we demonstrate a software architecture for developing and deploying clinical predictive models using web services via the Health Level 7 (HL7) Fast Healthcare Interoperability Resources (FHIR) standard. The services enable model development using electronic health records (EHRs) stored in OMOP CDM databases and model deployment for scoring individual patients through FHIR resources. The MIMIC2 ICU dataset and a synthetic outpatient dataset were transformed into OMOP CDM databases for predictive model development. The resulting predictive models are deployed as FHIR resources, which receive requests of patient information, perform prediction against the deployed predictive model and respond with prediction scores. To assess the practicality of this approach we evaluated the response and prediction time of the FHIR modeling web services. We found the system to be reasonably fast with one second total response time per patient prediction.
An analytical model for climatic predictions
International Nuclear Information System (INIS)
Njau, E.C.
1990-12-01
A climatic model based upon analytical expressions is presented. This model is capable of making long-range predictions of heat energy variations on regional or global scales. These variations can then be transformed into corresponding variations of some other key climatic parameters since weather and climatic changes are basically driven by differential heating and cooling around the earth. On the basis of the mathematical expressions upon which the model is based, it is shown that the global heat energy structure (and hence the associated climatic system) are characterized by zonally as well as latitudinally propagating fluctuations at frequencies downward of 0.5 day -1 . We have calculated the propagation speeds for those particular frequencies that are well documented in the literature. The calculated speeds are in excellent agreement with the measured speeds. (author). 13 refs
An Anisotropic Hardening Model for Springback Prediction
Zeng, Danielle; Xia, Z. Cedric
2005-08-01
As more Advanced High-Strength Steels (AHSS) are heavily used for automotive body structures and closures panels, accurate springback prediction for these components becomes more challenging because of their rapid hardening characteristics and ability to sustain even higher stresses. In this paper, a modified Mroz hardening model is proposed to capture realistic Bauschinger effect at reverse loading, such as when material passes through die radii or drawbead during sheet metal forming process. This model accounts for material anisotropic yield surface and nonlinear isotropic/kinematic hardening behavior. Material tension/compression test data are used to accurately represent Bauschinger effect. The effectiveness of the model is demonstrated by comparison of numerical and experimental springback results for a DP600 straight U-channel test.
An Anisotropic Hardening Model for Springback Prediction
International Nuclear Information System (INIS)
Zeng, Danielle; Xia, Z. Cedric
2005-01-01
As more Advanced High-Strength Steels (AHSS) are heavily used for automotive body structures and closures panels, accurate springback prediction for these components becomes more challenging because of their rapid hardening characteristics and ability to sustain even higher stresses. In this paper, a modified Mroz hardening model is proposed to capture realistic Bauschinger effect at reverse loading, such as when material passes through die radii or drawbead during sheet metal forming process. This model accounts for material anisotropic yield surface and nonlinear isotropic/kinematic hardening behavior. Material tension/compression test data are used to accurately represent Bauschinger effect. The effectiveness of the model is demonstrated by comparison of numerical and experimental springback results for a DP600 straight U-channel test
Hybrid Model Predictive Control as a LFC solution in Hydropower Plants
Directory of Open Access Journals (Sweden)
Donaisky Emerson
2015-01-01
Full Text Available For Electric Power System safety and stable operation, planning and analysis by using simulation environments are necessary. An important point for frequency stability analysis is, on one hand, an adequate representation of Load-Frequency Control (LFC loops and, on the other hand, the design of advanced control strategies to deal with the power system dynamic complexity. Therefore, in this paper we propose to represent the group turbine/penstock, found in hydropower plants, in a Piecewise Affine (PWA modelling structure. Based on such modelling, we also propose the use of a Hybrid Model Predictive algorithm to be use as a control law in LFC loops. Among the advantages of this PWA representation is the use of this model in the controller algorithm, thereby improving the Load-Frequency Control performance. Simulation results, on a 200 MW hydropower plant compares the performance of predictive control strategy presented with the classical PID control strategy in an isolated condition.
Predictions of models for environmental radiological assessment
International Nuclear Information System (INIS)
Peres, Sueli da Silva; Lauria, Dejanira da Costa; Mahler, Claudio Fernando
2011-01-01
In the field of environmental impact assessment, models are used for estimating source term, environmental dispersion and transfer of radionuclides, exposure pathway, radiation dose and the risk for human beings Although it is recognized that the specific information of local data are important to improve the quality of the dose assessment results, in fact obtaining it can be very difficult and expensive. Sources of uncertainties are numerous, among which we can cite: the subjectivity of modelers, exposure scenarios and pathways, used codes and general parameters. The various models available utilize different mathematical approaches with different complexities that can result in different predictions. Thus, for the same inputs different models can produce very different outputs. This paper presents briefly the main advances in the field of environmental radiological assessment that aim to improve the reliability of the models used in the assessment of environmental radiological impact. The intercomparison exercise of model supplied incompatible results for 137 Cs and 60 Co, enhancing the need for developing reference methodologies for environmental radiological assessment that allow to confront dose estimations in a common comparison base. The results of the intercomparison exercise are present briefly. (author)
A Predictive Maintenance Model for Railway Tracks
DEFF Research Database (Denmark)
Li, Rui; Wen, Min; Salling, Kim Bang
2015-01-01
presents a mathematical model based on Mixed Integer Programming (MIP) which is designed to optimize the predictive railway tamping activities for ballasted track for the time horizon up to four years. The objective function is setup to minimize the actual costs for the tamping machine (measured by time......). Five technical and economic aspects are taken into account to schedule tamping: (1) track degradation of the standard deviation of the longitudinal level over time; (2) track geometrical alignment; (3) track quality thresholds based on the train speed limits; (4) the dependency of the track quality...
Predictive Capability Maturity Model for computational modeling and simulation.
Energy Technology Data Exchange (ETDEWEB)
Oberkampf, William Louis; Trucano, Timothy Guy; Pilch, Martin M.
2007-10-01
The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics and material model fidelity, (3) code verification, (4) solution verification, (5) model validation, and (6) uncertainty quantification and sensitivity analysis. For each of these elements, attributes are identified that characterize four increasing levels of maturity. Importantly, the PCMM is a structured method for assessing the maturity of an M&S effort that is directed toward an engineering application of interest. The PCMM does not assess whether the M&S effort, the accuracy of the predictions, or the performance of the engineering system satisfies or does not satisfy specified application requirements.
Effective modelling for predictive analytics in data science ...
African Journals Online (AJOL)
Effective modelling for predictive analytics in data science. ... the nearabsence of empirical or factual predictive analytics in the mainstream research going on ... Keywords: Predictive Analytics, Big Data, Business Intelligence, Project Planning.
Combining GPS measurements and IRI model predictions
International Nuclear Information System (INIS)
Hernandez-Pajares, M.; Juan, J.M.; Sanz, J.; Bilitza, D.
2002-01-01
The free electrons distributed in the ionosphere (between one hundred and thousands of km in height) produce a frequency-dependent effect on Global Positioning System (GPS) signals: a delay in the pseudo-orange and an advance in the carrier phase. These effects are proportional to the columnar electron density between the satellite and receiver, i.e. the integrated electron density along the ray path. Global ionospheric TEC (total electron content) maps can be obtained with GPS data from a network of ground IGS (international GPS service) reference stations with an accuracy of few TEC units. The comparison with the TOPEX TEC, mainly measured over the oceans far from the IGS stations, shows a mean bias and standard deviation of about 2 and 5 TECUs respectively. The discrepancies between the STEC predictions and the observed values show an RMS typically below 5 TECUs (which also includes the alignment code noise). he existence of a growing database 2-hourly global TEC maps and with resolution of 5x2.5 degrees in longitude and latitude can be used to improve the IRI prediction capability of the TEC. When the IRI predictions and the GPS estimations are compared for a three month period around the Solar Maximum, they are in good agreement for middle latitudes. An over-determination of IRI TEC has been found at the extreme latitudes, the IRI predictions being, typically two times higher than the GPS estimations. Finally, local fits of the IRI model can be done by tuning the SSN from STEC GPS observations
Effect on Prediction when Modeling Covariates in Bayesian Nonparametric Models.
Cruz-Marcelo, Alejandro; Rosner, Gary L; Müller, Peter; Stewart, Clinton F
2013-04-01
In biomedical research, it is often of interest to characterize biologic processes giving rise to observations and to make predictions of future observations. Bayesian nonparametric methods provide a means for carrying out Bayesian inference making as few assumptions about restrictive parametric models as possible. There are several proposals in the literature for extending Bayesian nonparametric models to include dependence on covariates. Limited attention, however, has been directed to the following two aspects. In this article, we examine the effect on fitting and predictive performance of incorporating covariates in a class of Bayesian nonparametric models by one of two primary ways: either in the weights or in the locations of a discrete random probability measure. We show that different strategies for incorporating continuous covariates in Bayesian nonparametric models can result in big differences when used for prediction, even though they lead to otherwise similar posterior inferences. When one needs the predictive density, as in optimal design, and this density is a mixture, it is better to make the weights depend on the covariates. We demonstrate these points via a simulated data example and in an application in which one wants to determine the optimal dose of an anticancer drug used in pediatric oncology.
Mathematical models for indoor radon prediction
International Nuclear Information System (INIS)
Malanca, A.; Pessina, V.; Dallara, G.
1995-01-01
It is known that the indoor radon (Rn) concentration can be predicted by means of mathematical models. The simplest model relies on two variables only: the Rn source strength and the air exchange rate. In the Lawrence Berkeley Laboratory (LBL) model several environmental parameters are combined into a complex equation; besides, a correlation between the ventilation rate and the Rn entry rate from the soil is admitted. The measurements were carried out using activated carbon canisters. Seventy-five measurements of Rn concentrations were made inside two rooms placed on the second floor of a building block. One of the rooms had a single-glazed window whereas the other room had a double pane window. During three different experimental protocols, the mean Rn concentration was always higher into the room with a double-glazed window. That behavior can be accounted for by the simplest model. A further set of 450 Rn measurements was collected inside a ground-floor room with a grounding well in it. This trend maybe accounted for by the LBL model
Towards predictive models for transitionally rough surfaces
Abderrahaman-Elena, Nabil; Garcia-Mayoral, Ricardo
2017-11-01
We analyze and model the previously presented decomposition for flow variables in DNS of turbulence over transitionally rough surfaces. The flow is decomposed into two contributions: one produced by the overlying turbulence, which has no footprint of the surface texture, and one induced by the roughness, which is essentially the time-averaged flow around the surface obstacles, but modulated in amplitude by the first component. The roughness-induced component closely resembles the laminar steady flow around the roughness elements at the same non-dimensional roughness size. For small - yet transitionally rough - textures, the roughness-free component is essentially the same as over a smooth wall. Based on these findings, we propose predictive models for the onset of the transitionally rough regime. Project supported by the Engineering and Physical Sciences Research Council (EPSRC).
Resource-estimation models and predicted discovery
International Nuclear Information System (INIS)
Hill, G.W.
1982-01-01
Resources have been estimated by predictive extrapolation from past discovery experience, by analogy with better explored regions, or by inference from evidence of depletion of targets for exploration. Changes in technology and new insights into geological mechanisms have occurred sufficiently often in the long run to form part of the pattern of mature discovery experience. The criterion, that a meaningful resource estimate needs an objective measure of its precision or degree of uncertainty, excludes 'estimates' based solely on expert opinion. This is illustrated by development of error measures for several persuasive models of discovery and production of oil and gas in USA, both annually and in terms of increasing exploration effort. Appropriate generalizations of the models resolve many points of controversy. This is illustrated using two USA data sets describing discovery of oil and of U 3 O 8 ; the latter set highlights an inadequacy of available official data. Review of the oil-discovery data set provides a warrant for adjusting the time-series prediction to a higher resource figure for USA petroleum. (author)
Prediction of pipeline corrosion rate based on grey Markov models
International Nuclear Information System (INIS)
Chen Yonghong; Zhang Dafa; Peng Guichu; Wang Yuemin
2009-01-01
Based on the model that combined by grey model and Markov model, the prediction of corrosion rate of nuclear power pipeline was studied. Works were done to improve the grey model, and the optimization unbiased grey model was obtained. This new model was used to predict the tendency of corrosion rate, and the Markov model was used to predict the residual errors. In order to improve the prediction precision, rolling operation method was used in these prediction processes. The results indicate that the improvement to the grey model is effective and the prediction precision of the new model combined by the optimization unbiased grey model and Markov model is better, and the use of rolling operation method may improve the prediction precision further. (authors)
An Operational Model for the Prediction of Jet Blast
2012-01-09
This paper presents an operational model for the prediction of jet blast. The model was : developed based upon three modules including a jet exhaust model, jet centerline decay : model and aircraft motion model. The final analysis was compared with d...
Data driven propulsion system weight prediction model
Gerth, Richard J.
1994-10-01
The objective of the research was to develop a method to predict the weight of paper engines, i.e., engines that are in the early stages of development. The impetus for the project was the Single Stage To Orbit (SSTO) project, where engineers need to evaluate alternative engine designs. Since the SSTO is a performance driven project the performance models for alternative designs were well understood. The next tradeoff is weight. Since it is known that engine weight varies with thrust levels, a model is required that would allow discrimination between engines that produce the same thrust. Above all, the model had to be rooted in data with assumptions that could be justified based on the data. The general approach was to collect data on as many existing engines as possible and build a statistical model of the engines weight as a function of various component performance parameters. This was considered a reasonable level to begin the project because the data would be readily available, and it would be at the level of most paper engines, prior to detailed component design.
Predictive modeling of emergency cesarean delivery.
Directory of Open Access Journals (Sweden)
Carlos Campillo-Artero
Full Text Available To increase discriminatory accuracy (DA for emergency cesarean sections (ECSs.We prospectively collected data on and studied all 6,157 births occurring in 2014 at four public hospitals located in three different autonomous communities of Spain. To identify risk factors (RFs for ECS, we used likelihood ratios and logistic regression, fitted a classification tree (CTREE, and analyzed a random forest model (RFM. We used the areas under the receiver-operating-characteristic (ROC curves (AUCs to assess their DA.The magnitude of the LR+ for all putative individual RFs and ORs in the logistic regression models was low to moderate. Except for parity, all putative RFs were positively associated with ECS, including hospital fixed-effects and night-shift delivery. The DA of all logistic models ranged from 0.74 to 0.81. The most relevant RFs (pH, induction, and previous C-section in the CTREEs showed the highest ORs in the logistic models. The DA of the RFM and its most relevant interaction terms was even higher (AUC = 0.94; 95% CI: 0.93-0.95.Putative fetal, maternal, and contextual RFs alone fail to achieve reasonable DA for ECS. It is the combination of these RFs and the interactions between them at each hospital that make it possible to improve the DA for the type of delivery and tailor interventions through prediction to improve the appropriateness of ECS indications.
Model Predictive Control based on Finite Impulse Response Models
DEFF Research Database (Denmark)
Prasath, Guru; Jørgensen, John Bagterp
2008-01-01
We develop a regularized l2 finite impulse response (FIR) predictive controller with input and input-rate constraints. Feedback is based on a simple constant output disturbance filter. The performance of the predictive controller in the face of plant-model mismatch is investigated by simulations...... and related to the uncertainty of the impulse response coefficients. The simulations can be used to benchmark l2 MPC against FIR based robust MPC as well as to estimate the maximum performance improvements by robust MPC....
Methodology for Designing Models Predicting Success of Infertility Treatment
Alireza Zarinara; Mohammad Mahdi Akhondi; Hojjat Zeraati; Koorsh Kamali; Kazem Mohammad
2016-01-01
Abstract Background: The prediction models for infertility treatment success have presented since 25 years ago. There are scientific principles for designing and applying the prediction models that is also used to predict the success rate of infertility treatment. The purpose of this study is to provide basic principles for designing the model to predic infertility treatment success. Materials and Methods: In this paper, the principles for developing predictive models are explained and...
Finite Unification: Theory, Models and Predictions
Heinemeyer, S; Zoupanos, G
2011-01-01
All-loop Finite Unified Theories (FUTs) are very interesting N=1 supersymmetric Grand Unified Theories (GUTs) realising an old field theory dream, and moreover have a remarkable predictive power due to the required reduction of couplings. The reduction of the dimensionless couplings in N=1 GUTs is achieved by searching for renormalization group invariant (RGI) relations among them holding beyond the unification scale. Finiteness results from the fact that there exist RGI relations among dimensional couplings that guarantee the vanishing of all beta-functions in certain N=1 GUTs even to all orders. Furthermore developments in the soft supersymmetry breaking sector of N=1 GUTs and FUTs lead to exact RGI relations, i.e. reduction of couplings, in this dimensionful sector of the theory, too. Based on the above theoretical framework phenomenologically consistent FUTs have been constructed. Here we review FUT models based on the SU(5) and SU(3)^3 gauge groups and their predictions. Of particular interest is the Hig...
Revised predictive equations for salt intrusion modelling in estuaries
Gisen, J.I.A.; Savenije, H.H.G.; Nijzink, R.C.
2015-01-01
For one-dimensional salt intrusion models to be predictive, we need predictive equations to link model parameters to observable hydraulic and geometric variables. The one-dimensional model of Savenije (1993b) made use of predictive equations for the Van der Burgh coefficient $K$ and the dispersion
Neutrino nucleosynthesis in supernovae: Shell model predictions
International Nuclear Information System (INIS)
Haxton, W.C.
1989-01-01
Almost all of the 3 · 10 53 ergs liberated in a core collapse supernova is radiated as neutrinos by the cooling neutron star. I will argue that these neutrinos interact with nuclei in the ejected shells of the supernovae to produce new elements. It appears that this nucleosynthesis mechanism is responsible for the galactic abundances of 7 Li, 11 B, 19 F, 138 La, and 180 Ta, and contributes significantly to the abundances of about 15 other light nuclei. I discuss shell model predictions for the charged and neutral current allowed and first-forbidden responses of the parent nuclei, as well as the spallation processes that produce the new elements. 18 refs., 1 fig., 1 tab
Hierarchical Model Predictive Control for Resource Distribution
DEFF Research Database (Denmark)
Bendtsen, Jan Dimon; Trangbæk, K; Stoustrup, Jakob
2010-01-01
units. The approach is inspired by smart-grid electric power production and consumption systems, where the flexibility of a large number of power producing and/or power consuming units can be exploited in a smart-grid solution. The objective is to accommodate the load variation on the grid, arising......This paper deals with hierarchichal model predictive control (MPC) of distributed systems. A three level hierachical approach is proposed, consisting of a high level MPC controller, a second level of so-called aggregators, controlled by an online MPC-like algorithm, and a lower level of autonomous...... on one hand from varying consumption, on the other hand by natural variations in power production e.g. from wind turbines. The approach presented is based on quadratic optimization and possess the properties of low algorithmic complexity and of scalability. In particular, the proposed design methodology...
Distributed model predictive control made easy
Negenborn, Rudy
2014-01-01
The rapid evolution of computer science, communication, and information technology has enabled the application of control techniques to systems beyond the possibilities of control theory just a decade ago. Critical infrastructures such as electricity, water, traffic and intermodal transport networks are now in the scope of control engineers. The sheer size of such large-scale systems requires the adoption of advanced distributed control approaches. Distributed model predictive control (MPC) is one of the promising control methodologies for control of such systems. This book provides a state-of-the-art overview of distributed MPC approaches, while at the same time making clear directions of research that deserve more attention. The core and rationale of 35 approaches are carefully explained. Moreover, detailed step-by-step algorithmic descriptions of each approach are provided. These features make the book a comprehensive guide both for those seeking an introduction to distributed MPC as well as for those ...
Model predictive control of a wind turbine modelled in Simpack
International Nuclear Information System (INIS)
Jassmann, U; Matzke, D; Reiter, M; Abel, D; Berroth, J; Schelenz, R; Jacobs, G
2014-01-01
Wind turbines (WT) are steadily growing in size to increase their power production, which also causes increasing loads acting on the turbine's components. At the same time large structures, such as the blades and the tower get more flexible. To minimize this impact, the classical control loops for keeping the power production in an optimum state are more and more extended by load alleviation strategies. These additional control loops can be unified by a multiple-input multiple-output (MIMO) controller to achieve better balancing of tuning parameters. An example for MIMO control, which has been paid more attention to recently by wind industry, is Model Predictive Control (MPC). In a MPC framework a simplified model of the WT is used to predict its controlled outputs. Based on a user-defined cost function an online optimization calculates the optimal control sequence. Thereby MPC can intrinsically incorporate constraints e.g. of actuators. Turbine models used for calculation within the MPC are typically simplified. For testing and verification usually multi body simulations, such as FAST, BLADED or FLEX5 are used to model system dynamics, but they are still limited in the number of degrees of freedom (DOF). Detailed information about load distribution (e.g. inside the gearbox) cannot be provided by such models. In this paper a Model Predictive Controller is presented and tested in a co-simulation with SlMPACK, a multi body system (MBS) simulation framework used for detailed load analysis. The analysis are performed on the basis of the IME6.0 MBS WT model, described in this paper. It is based on the rotor of the NREL 5MW WT and consists of a detailed representation of the drive train. This takes into account a flexible main shaft and its main bearings with a planetary gearbox, where all components are modelled flexible, as well as a supporting flexible main frame. The wind loads are simulated using the NREL AERODYN v13 code which has been implemented as a routine
Model predictive control of a wind turbine modelled in Simpack
Jassmann, U.; Berroth, J.; Matzke, D.; Schelenz, R.; Reiter, M.; Jacobs, G.; Abel, D.
2014-06-01
Wind turbines (WT) are steadily growing in size to increase their power production, which also causes increasing loads acting on the turbine's components. At the same time large structures, such as the blades and the tower get more flexible. To minimize this impact, the classical control loops for keeping the power production in an optimum state are more and more extended by load alleviation strategies. These additional control loops can be unified by a multiple-input multiple-output (MIMO) controller to achieve better balancing of tuning parameters. An example for MIMO control, which has been paid more attention to recently by wind industry, is Model Predictive Control (MPC). In a MPC framework a simplified model of the WT is used to predict its controlled outputs. Based on a user-defined cost function an online optimization calculates the optimal control sequence. Thereby MPC can intrinsically incorporate constraints e.g. of actuators. Turbine models used for calculation within the MPC are typically simplified. For testing and verification usually multi body simulations, such as FAST, BLADED or FLEX5 are used to model system dynamics, but they are still limited in the number of degrees of freedom (DOF). Detailed information about load distribution (e.g. inside the gearbox) cannot be provided by such models. In this paper a Model Predictive Controller is presented and tested in a co-simulation with SlMPACK, a multi body system (MBS) simulation framework used for detailed load analysis. The analysis are performed on the basis of the IME6.0 MBS WT model, described in this paper. It is based on the rotor of the NREL 5MW WT and consists of a detailed representation of the drive train. This takes into account a flexible main shaft and its main bearings with a planetary gearbox, where all components are modelled flexible, as well as a supporting flexible main frame. The wind loads are simulated using the NREL AERODYN v13 code which has been implemented as a routine to
Poisson Mixture Regression Models for Heart Disease Prediction.
Mufudza, Chipo; Erol, Hamza
2016-01-01
Early heart disease control can be achieved by high disease prediction and diagnosis efficiency. This paper focuses on the use of model based clustering techniques to predict and diagnose heart disease via Poisson mixture regression models. Analysis and application of Poisson mixture regression models is here addressed under two different classes: standard and concomitant variable mixture regression models. Results show that a two-component concomitant variable Poisson mixture regression model predicts heart disease better than both the standard Poisson mixture regression model and the ordinary general linear Poisson regression model due to its low Bayesian Information Criteria value. Furthermore, a Zero Inflated Poisson Mixture Regression model turned out to be the best model for heart prediction over all models as it both clusters individuals into high or low risk category and predicts rate to heart disease componentwise given clusters available. It is deduced that heart disease prediction can be effectively done by identifying the major risks componentwise using Poisson mixture regression model.
Predictive integrated modelling for ITER scenarios
International Nuclear Information System (INIS)
Artaud, J.F.; Imbeaux, F.; Aniel, T.; Basiuk, V.; Eriksson, L.G.; Giruzzi, G.; Hoang, G.T.; Huysmans, G.; Joffrin, E.; Peysson, Y.; Schneider, M.; Thomas, P.
2005-01-01
The uncertainty on the prediction of ITER scenarios is evaluated. 2 transport models which have been extensively validated against the multi-machine database are used for the computation of the transport coefficients. The first model is GLF23, the second called Kiauto is a model in which the profile of dilution coefficient is a gyro Bohm-like analytical function, renormalized in order to get profiles consistent with a given global energy confinement scaling. The package of codes CRONOS is used, it gives access to the dynamics of the discharge and allows the study of interplay between heat transport, current diffusion and sources. The main motivation of this work is to study the influence of parameters such plasma current, heat, density, impurities and toroidal moment transport. We can draw the following conclusions: 1) the target Q = 10 can be obtained in ITER hybrid scenario at I p = 13 MA, using either the DS03 two terms scaling or the GLF23 model based on the same pedestal; 2) I p = 11.3 MA, Q = 10 can be reached only assuming a very peaked pressure profile and a low pedestal; 3) at fixed Greenwald fraction, Q increases with density peaking; 4) achieving a stationary q-profile with q > 1 requires a large non-inductive current fraction (80%) that could be provided by 20 to 40 MW of LHCD; and 5) owing to the high temperature the q-profile penetration is delayed and q = 1 is reached about 600 s in ITER hybrid scenario at I p = 13 MA, in the absence of active q-profile control. (A.C.)
DEFF Research Database (Denmark)
Christensen, Nikolaj Kruse; Christensen, Steen; Ferre, Ty
the integration of geophysical data in the construction of a groundwater model increases the prediction performance. We suggest that modelers should perform a hydrogeophysical “test-bench” analysis of the likely value of geophysics data for improving groundwater model prediction performance before actually...... and the resulting predictions can be compared with predictions from the ‘true’ model. By performing this analysis we expect to give the modeler insight into how the uncertainty of model-based prediction can be reduced.......A major purpose of groundwater modeling is to help decision-makers in efforts to manage the natural environment. Increasingly, it is recognized that both the predictions of interest and their associated uncertainties should be quantified to support robust decision making. In particular, decision...
Ghavami, Raouf; Sadeghi, Faridoon; Rasouli, Zolikha; Djannati, Farhad
2012-12-01
Experimental values for the 13C NMR chemical shifts (ppm, TMS = 0) at 300 K ranging from 96.28 ppm (C4' of indole derivative 17) to 159.93 ppm (C4' of indole derivative 23) relative to deuteride chloroform (CDCl3, 77.0 ppm) or dimethylsulfoxide (DMSO, 39.50 ppm) as internal reference in CDCl3 or DMSO-d6 solutions have been collected from literature for thirty 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indole derivatives containing different substituted groups. An effective quantitative structure-property relationship (QSPR) models were built using hybrid method combining genetic algorithm (GA) based on stepwise selection multiple linear regression (SWS-MLR) as feature-selection tools and correlation models between each carbon atom of indole derivative and calculated descriptors. Each compound was depicted by molecular structural descriptors that encode constitutional, topological, geometrical, electrostatic, and quantum chemical features. The accuracy of all developed models were confirmed using different types of internal and external procedures and various statistical tests. Furthermore, the domain of applicability for each model which indicates the area of reliable predictions was defined.
Directory of Open Access Journals (Sweden)
Jing Lu
2014-11-01
Full Text Available We propose a weather prediction model in this article based on neural network and fuzzy inference system (NFIS-WPM, and then apply it to predict daily fuzzy precipitation given meteorological premises for testing. The model consists of two parts: the first part is the “fuzzy rule-based neural network”, which simulates sequential relations among fuzzy sets using artificial neural network; and the second part is the “neural fuzzy inference system”, which is based on the first part, but could learn new fuzzy rules from the previous ones according to the algorithm we proposed. NFIS-WPM (High Pro and NFIS-WPM (Ave are improved versions of this model. It is well known that the need for accurate weather prediction is apparent when considering the benefits. However, the excessive pursuit of accuracy in weather prediction makes some of the “accurate” prediction results meaningless and the numerical prediction model is often complex and time-consuming. By adapting this novel model to a precipitation prediction problem, we make the predicted outcomes of precipitation more accurate and the prediction methods simpler than by using the complex numerical forecasting model that would occupy large computation resources, be time-consuming and which has a low predictive accuracy rate. Accordingly, we achieve more accurate predictive precipitation results than by using traditional artificial neural networks that have low predictive accuracy.
Foundation Settlement Prediction Based on a Novel NGM Model
Directory of Open Access Journals (Sweden)
Peng-Yu Chen
2014-01-01
Full Text Available Prediction of foundation or subgrade settlement is very important during engineering construction. According to the fact that there are lots of settlement-time sequences with a nonhomogeneous index trend, a novel grey forecasting model called NGM (1,1,k,c model is proposed in this paper. With an optimized whitenization differential equation, the proposed NGM (1,1,k,c model has the property of white exponential law coincidence and can predict a pure nonhomogeneous index sequence precisely. We used two case studies to verify the predictive effect of NGM (1,1,k,c model for settlement prediction. The results show that this model can achieve excellent prediction accuracy; thus, the model is quite suitable for simulation and prediction of approximate nonhomogeneous index sequence and has excellent application value in settlement prediction.
DEFF Research Database (Denmark)
Senturk, Osman Selcuk; Munk-Nielsen, Stig; Teodorescu, Remus
2010-01-01
and the switch thermal performance which is determined by the converter load profile and the converter structure. In this study, the converter-structure based power loss and thermal models are developed for the medium voltage full-scale 3LANPC- VSC and 3L-HB-VSC utilizing press-pack IGBT-diode pairs......The wind turbine converters demand high power density due to nacelle space limitation and high reliability due to high maintenance cost. Once the converter topology with the semiconductor switch technology is selected, the converter power density and reliability are dependent on the component count...
Nonconvex model predictive control for commercial refrigeration
Gybel Hovgaard, Tobias; Boyd, Stephen; Larsen, Lars F. S.; Bagterp Jørgensen, John
2013-08-01
We consider the control of a commercial multi-zone refrigeration system, consisting of several cooling units that share a common compressor, and is used to cool multiple areas or rooms. In each time period we choose cooling capacity to each unit and a common evaporation temperature. The goal is to minimise the total energy cost, using real-time electricity prices, while obeying temperature constraints on the zones. We propose a variation on model predictive control to achieve this goal. When the right variables are used, the dynamics of the system are linear, and the constraints are convex. The cost function, however, is nonconvex due to the temperature dependence of thermodynamic efficiency. To handle this nonconvexity we propose a sequential convex optimisation method, which typically converges in fewer than 5 or so iterations. We employ a fast convex quadratic programming solver to carry out the iterations, which is more than fast enough to run in real time. We demonstrate our method on a realistic model, with a full year simulation and 15-minute time periods, using historical electricity prices and weather data, as well as random variations in thermal load. These simulations show substantial cost savings, on the order of 30%, compared to a standard thermostat-based control system. Perhaps more important, we see that the method exhibits sophisticated response to real-time variations in electricity prices. This demand response is critical to help balance real-time uncertainties in generation capacity associated with large penetration of intermittent renewable energy sources in a future smart grid.
Predictive Modelling of Heavy Metals in Urban Lakes
Lindström, Martin
2000-01-01
Heavy metals are well-known environmental pollutants. In this thesis predictive models for heavy metals in urban lakes are discussed and new models presented. The base of predictive modelling is empirical data from field investigations of many ecosystems covering a wide range of ecosystem characteristics. Predictive models focus on the variabilities among lakes and processes controlling the major metal fluxes. Sediment and water data for this study were collected from ten small lakes in the ...
Seasonal predictability of Kiremt rainfall in coupled general circulation models
Gleixner, Stephanie; Keenlyside, Noel S.; Demissie, Teferi D.; Counillon, François; Wang, Yiguo; Viste, Ellen
2017-11-01
The Ethiopian economy and population is strongly dependent on rainfall. Operational seasonal predictions for the main rainy season (Kiremt, June-September) are based on statistical approaches with Pacific sea surface temperatures (SST) as the main predictor. Here we analyse dynamical predictions from 11 coupled general circulation models for the Kiremt seasons from 1985-2005 with the forecasts starting from the beginning of May. We find skillful predictions from three of the 11 models, but no model beats a simple linear prediction model based on the predicted Niño3.4 indices. The skill of the individual models for dynamically predicting Kiremt rainfall depends on the strength of the teleconnection between Kiremt rainfall and concurrent Pacific SST in the models. Models that do not simulate this teleconnection fail to capture the observed relationship between Kiremt rainfall and the large-scale Walker circulation.
MODELLING OF DYNAMIC SPEED LIMITS USING THE MODEL PREDICTIVE CONTROL
Directory of Open Access Journals (Sweden)
Andrey Borisovich Nikolaev
2017-09-01
Full Text Available The article considers the issues of traffic management using intelligent system “Car-Road” (IVHS, which consist of interacting intelligent vehicles (IV and intelligent roadside controllers. Vehicles are organized in convoy with small distances between them. All vehicles are assumed to be fully automated (throttle control, braking, steering. Proposed approaches for determining speed limits for traffic cars on the motorway using a model predictive control (MPC. The article proposes an approach to dynamic speed limit to minimize the downtime of vehicles in traffic.
MJO prediction skill of the subseasonal-to-seasonal (S2S) prediction models
Son, S. W.; Lim, Y.; Kim, D.
2017-12-01
The Madden-Julian Oscillation (MJO), the dominant mode of tropical intraseasonal variability, provides the primary source of tropical and extratropical predictability on subseasonal to seasonal timescales. To better understand its predictability, this study conducts quantitative evaluation of MJO prediction skill in the state-of-the-art operational models participating in the subseasonal-to-seasonal (S2S) prediction project. Based on bivariate correlation coefficient of 0.5, the S2S models exhibit MJO prediction skill ranging from 12 to 36 days. These prediction skills are affected by both the MJO amplitude and phase errors, the latter becoming more important with forecast lead times. Consistent with previous studies, the MJO events with stronger initial amplitude are typically better predicted. However, essentially no sensitivity to the initial MJO phase is observed. Overall MJO prediction skill and its inter-model spread are further related with the model mean biases in moisture fields and longwave cloud-radiation feedbacks. In most models, a dry bias quickly builds up in the deep tropics, especially across the Maritime Continent, weakening horizontal moisture gradient. This likely dampens the organization and propagation of MJO. Most S2S models also underestimate the longwave cloud-radiation feedbacks in the tropics, which may affect the maintenance of the MJO convective envelop. In general, the models with a smaller bias in horizontal moisture gradient and longwave cloud-radiation feedbacks show a higher MJO prediction skill, suggesting that improving those processes would enhance MJO prediction skill.
Butterfly, Recurrence, and Predictability in Lorenz Models
Shen, B. W.
2017-12-01
Over the span of 50 years, the original three-dimensional Lorenz model (3DLM; Lorenz,1963) and its high-dimensional versions (e.g., Shen 2014a and references therein) have been used for improving our understanding of the predictability of weather and climate with a focus on chaotic responses. Although the Lorenz studies focus on nonlinear processes and chaotic dynamics, people often apply a "linear" conceptual model to understand the nonlinear processes in the 3DLM. In this talk, we present examples to illustrate the common misunderstandings regarding butterfly effect and discuss the importance of solutions' recurrence and boundedness in the 3DLM and high-dimensional LMs. The first example is discussed with the following folklore that has been widely used as an analogy of the butterfly effect: "For want of a nail, the shoe was lost.For want of a shoe, the horse was lost.For want of a horse, the rider was lost.For want of a rider, the battle was lost.For want of a battle, the kingdom was lost.And all for the want of a horseshoe nail."However, in 2008, Prof. Lorenz stated that he did not feel that this verse described true chaos but that it better illustrated the simpler phenomenon of instability; and that the verse implicitly suggests that subsequent small events will not reverse the outcome (Lorenz, 2008). Lorenz's comments suggest that the verse neither describes negative (nonlinear) feedback nor indicates recurrence, the latter of which is required for the appearance of a butterfly pattern. The second example is to illustrate that the divergence of two nearby trajectories should be bounded and recurrent, as shown in Figure 1. Furthermore, we will discuss how high-dimensional LMs were derived to illustrate (1) negative nonlinear feedback that stabilizes the system within the five- and seven-dimensional LMs (5D and 7D LMs; Shen 2014a; 2015a; 2016); (2) positive nonlinear feedback that destabilizes the system within the 6D and 8D LMs (Shen 2015b; 2017); and (3
Auditing predictive models : a case study in crop growth
Metselaar, K.
1999-01-01
Methods were developed to assess and quantify the predictive quality of simulation models, with the intent to contribute to evaluation of model studies by non-scientists. In a case study, two models of different complexity, LINTUL and SUCROS87, were used to predict yield of forage maize
Models for predicting compressive strength and water absorption of ...
African Journals Online (AJOL)
This work presents a mathematical model for predicting the compressive strength and water absorption of laterite-quarry dust cement block using augmented Scheffe's simplex lattice design. The statistical models developed can predict the mix proportion that will yield the desired property. The models were tested for lack of ...
Statistical and Machine Learning Models to Predict Programming Performance
Bergin, Susan
2006-01-01
This thesis details a longitudinal study on factors that influence introductory programming success and on the development of machine learning models to predict incoming student performance. Although numerous studies have developed models to predict programming success, the models struggled to achieve high accuracy in predicting the likely performance of incoming students. Our approach overcomes this by providing a machine learning technique, using a set of three significant...
Probabilistic Modeling and Visualization for Bankruptcy Prediction
DEFF Research Database (Denmark)
Antunes, Francisco; Ribeiro, Bernardete; Pereira, Francisco Camara
2017-01-01
In accounting and finance domains, bankruptcy prediction is of great utility for all of the economic stakeholders. The challenge of accurate assessment of business failure prediction, specially under scenarios of financial crisis, is known to be complicated. Although there have been many successful...... studies on bankruptcy detection, seldom probabilistic approaches were carried out. In this paper we assume a probabilistic point-of-view by applying Gaussian Processes (GP) in the context of bankruptcy prediction, comparing it against the Support Vector Machines (SVM) and the Logistic Regression (LR......). Using real-world bankruptcy data, an in-depth analysis is conducted showing that, in addition to a probabilistic interpretation, the GP can effectively improve the bankruptcy prediction performance with high accuracy when compared to the other approaches. We additionally generate a complete graphical...
Accurate and dynamic predictive model for better prediction in medicine and healthcare.
Alanazi, H O; Abdullah, A H; Qureshi, K N; Ismail, A S
2018-05-01
Information and communication technologies (ICTs) have changed the trend into new integrated operations and methods in all fields of life. The health sector has also adopted new technologies to improve the systems and provide better services to customers. Predictive models in health care are also influenced from new technologies to predict the different disease outcomes. However, still, existing predictive models have suffered from some limitations in terms of predictive outcomes performance. In order to improve predictive model performance, this paper proposed a predictive model by classifying the disease predictions into different categories. To achieve this model performance, this paper uses traumatic brain injury (TBI) datasets. TBI is one of the serious diseases worldwide and needs more attention due to its seriousness and serious impacts on human life. The proposed predictive model improves the predictive performance of TBI. The TBI data set is developed and approved by neurologists to set its features. The experiment results show that the proposed model has achieved significant results including accuracy, sensitivity, and specificity.
A new ensemble model for short term wind power prediction
DEFF Research Database (Denmark)
Madsen, Henrik; Albu, Razvan-Daniel; Felea, Ioan
2012-01-01
As the objective of this study, a non-linear ensemble system is used to develop a new model for predicting wind speed in short-term time scale. Short-term wind power prediction becomes an extremely important field of research for the energy sector. Regardless of the recent advancements in the re-search...... of prediction models, it was observed that different models have different capabilities and also no single model is suitable under all situations. The idea behind EPS (ensemble prediction systems) is to take advantage of the unique features of each subsystem to detain diverse patterns that exist in the dataset...
Testing the predictive power of nuclear mass models
International Nuclear Information System (INIS)
Mendoza-Temis, J.; Morales, I.; Barea, J.; Frank, A.; Hirsch, J.G.; Vieyra, J.C. Lopez; Van Isacker, P.; Velazquez, V.
2008-01-01
A number of tests are introduced which probe the ability of nuclear mass models to extrapolate. Three models are analyzed in detail: the liquid drop model, the liquid drop model plus empirical shell corrections and the Duflo-Zuker mass formula. If predicted nuclei are close to the fitted ones, average errors in predicted and fitted masses are similar. However, the challenge of predicting nuclear masses in a region stabilized by shell effects (e.g., the lead region) is far more difficult. The Duflo-Zuker mass formula emerges as a powerful predictive tool
Rahimian, Hamid; Kazemi, Mojtaba; Abbspour, Abbas
2017-01-01
This research aims to determine the effectiveness of training based on learning organization in the staff of cement industry with production capacity over ten thousand tons. The purpose of this study is to propose a training model based on learning organization. For this purpose, the factors of organizational learning were introduced by…
Pulliam, Curtis R.; Pfeiffer, William F.; Thomas, Alyssa C.
2015-01-01
This paper describes a first-year general chemistry laboratory that uses NMR spectroscopy and model building to emphasize molecular shape and structure. It is appropriate for either a traditional or an atoms-first curriculum. Students learn the basis of structure and the use of NMR data through a cooperative learning hands-on laboratory…
From Predictive Models to Instructional Policies
Rollinson, Joseph; Brunskill, Emma
2015-01-01
At their core, Intelligent Tutoring Systems consist of a student model and a policy. The student model captures the state of the student and the policy uses the student model to individualize instruction. Policies require different properties from the student model. For example, a mastery threshold policy requires the student model to have a way…
The Complexity of Developmental Predictions from Dual Process Models
Stanovich, Keith E.; West, Richard F.; Toplak, Maggie E.
2011-01-01
Drawing developmental predictions from dual-process theories is more complex than is commonly realized. Overly simplified predictions drawn from such models may lead to premature rejection of the dual process approach as one of many tools for understanding cognitive development. Misleading predictions can be avoided by paying attention to several…
Sweat loss prediction using a multi-model approach.
Xu, Xiaojiang; Santee, William R
2011-07-01
A new multi-model approach (MMA) for sweat loss prediction is proposed to improve prediction accuracy. MMA was computed as the average of sweat loss predicted by two existing thermoregulation models: i.e., the rational model SCENARIO and the empirical model Heat Strain Decision Aid (HSDA). Three independent physiological datasets, a total of 44 trials, were used to compare predictions by MMA, SCENARIO, and HSDA. The observed sweat losses were collected under different combinations of uniform ensembles, environmental conditions (15-40°C, RH 25-75%), and exercise intensities (250-600 W). Root mean square deviation (RMSD), residual plots, and paired t tests were used to compare predictions with observations. Overall, MMA reduced RMSD by 30-39% in comparison with either SCENARIO or HSDA, and increased the prediction accuracy to 66% from 34% or 55%. Of the MMA predictions, 70% fell within the range of mean observed value ± SD, while only 43% of SCENARIO and 50% of HSDA predictions fell within the same range. Paired t tests showed that differences between observations and MMA predictions were not significant, but differences between observations and SCENARIO or HSDA predictions were significantly different for two datasets. Thus, MMA predicted sweat loss more accurately than either of the two single models for the three datasets used. Future work will be to evaluate MMA using additional physiological data to expand the scope of populations and conditions.
Comparisons of Faulting-Based Pavement Performance Prediction Models
Directory of Open Access Journals (Sweden)
Weina Wang
2017-01-01
Full Text Available Faulting prediction is the core of concrete pavement maintenance and design. Highway agencies are always faced with the problem of lower accuracy for the prediction which causes costly maintenance. Although many researchers have developed some performance prediction models, the accuracy of prediction has remained a challenge. This paper reviews performance prediction models and JPCP faulting models that have been used in past research. Then three models including multivariate nonlinear regression (MNLR model, artificial neural network (ANN model, and Markov Chain (MC model are tested and compared using a set of actual pavement survey data taken on interstate highway with varying design features, traffic, and climate data. It is found that MNLR model needs further recalibration, while the ANN model needs more data for training the network. MC model seems a good tool for pavement performance prediction when the data is limited, but it is based on visual inspections and not explicitly related to quantitative physical parameters. This paper then suggests that the further direction for developing the performance prediction model is incorporating the advantages and disadvantages of different models to obtain better accuracy.
Using Population Matrix Modeling to Predict AEGIS Fire Controlmen Community Structure
National Research Council Canada - National Science Library
McKeon, Thomas J
2007-01-01
.... A Population Matrix with Markov properties was used to develop the AEGIS FC aging model. The goal of this model was to provide an accurate predication of the future AEGIS FC community structure based upon variables...
Modeling of Complex Life Cycle Prediction Based on Cell Division
Directory of Open Access Journals (Sweden)
Fucheng Zhang
2017-01-01
Full Text Available Effective fault diagnosis and reasonable life expectancy are of great significance and practical engineering value for the safety, reliability, and maintenance cost of equipment and working environment. At present, the life prediction methods of the equipment are equipment life prediction based on condition monitoring, combined forecasting model, and driven data. Most of them need to be based on a large amount of data to achieve the problem. For this issue, we propose learning from the mechanism of cell division in the organism. We have established a moderate complexity of life prediction model across studying the complex multifactor correlation life model. In this paper, we model the life prediction of cell division. Experiments show that our model can effectively simulate the state of cell division. Through the model of reference, we will use it for the equipment of the complex life prediction.
Risk prediction model: Statistical and artificial neural network approach
Paiman, Nuur Azreen; Hariri, Azian; Masood, Ibrahim
2017-04-01
Prediction models are increasingly gaining popularity and had been used in numerous areas of studies to complement and fulfilled clinical reasoning and decision making nowadays. The adoption of such models assist physician's decision making, individual's behavior, and consequently improve individual outcomes and the cost-effectiveness of care. The objective of this paper is to reviewed articles related to risk prediction model in order to understand the suitable approach, development and the validation process of risk prediction model. A qualitative review of the aims, methods and significant main outcomes of the nineteen published articles that developed risk prediction models from numerous fields were done. This paper also reviewed on how researchers develop and validate the risk prediction models based on statistical and artificial neural network approach. From the review done, some methodological recommendation in developing and validating the prediction model were highlighted. According to studies that had been done, artificial neural network approached in developing the prediction model were more accurate compared to statistical approach. However currently, only limited published literature discussed on which approach is more accurate for risk prediction model development.
Predictive modeling and reducing cyclic variability in autoignition engines
Hellstrom, Erik; Stefanopoulou, Anna; Jiang, Li; Larimore, Jacob
2016-08-30
Methods and systems are provided for controlling a vehicle engine to reduce cycle-to-cycle combustion variation. A predictive model is applied to predict cycle-to-cycle combustion behavior of an engine based on observed engine performance variables. Conditions are identified, based on the predicted cycle-to-cycle combustion behavior, that indicate high cycle-to-cycle combustion variation. Corrective measures are then applied to prevent the predicted high cycle-to-cycle combustion variation.
Dynamic Simulation of Human Gait Model With Predictive Capability.
Sun, Jinming; Wu, Shaoli; Voglewede, Philip A
2018-03-01
In this paper, it is proposed that the central nervous system (CNS) controls human gait using a predictive control approach in conjunction with classical feedback control instead of exclusive classical feedback control theory that controls based on past error. To validate this proposition, a dynamic model of human gait is developed using a novel predictive approach to investigate the principles of the CNS. The model developed includes two parts: a plant model that represents the dynamics of human gait and a controller that represents the CNS. The plant model is a seven-segment, six-joint model that has nine degrees-of-freedom (DOF). The plant model is validated using data collected from able-bodied human subjects. The proposed controller utilizes model predictive control (MPC). MPC uses an internal model to predict the output in advance, compare the predicted output to the reference, and optimize the control input so that the predicted error is minimal. To decrease the complexity of the model, two joints are controlled using a proportional-derivative (PD) controller. The developed predictive human gait model is validated by simulating able-bodied human gait. The simulation results show that the developed model is able to simulate the kinematic output close to experimental data.
Comparative Evaluation of Some Crop Yield Prediction Models ...
African Journals Online (AJOL)
A computer program was adopted from the work of Hill et al. (1982) to calibrate and test three of the existing yield prediction models using tropical cowpea yieldÐweather data. The models tested were Hanks Model (first and second versions). Stewart Model (first and second versions) and HallÐButcher Model. Three sets of ...
A model to predict the power output from wind farms
Energy Technology Data Exchange (ETDEWEB)
Landberg, L. [Riso National Lab., Roskilde (Denmark)
1997-12-31
This paper will describe a model that can predict the power output from wind farms. To give examples of input the model is applied to a wind farm in Texas. The predictions are generated from forecasts from the NGM model of NCEP. These predictions are made valid at individual sites (wind farms) by applying a matrix calculated by the sub-models of WASP (Wind Atlas Application and Analysis Program). The actual wind farm production is calculated using the Riso PARK model. Because of the preliminary nature of the results, they will not be given. However, similar results from Europe will be given.
Modelling microbial interactions and food structure in predictive microbiology
Malakar, P.K.
2002-01-01
Keywords: modelling, dynamic models, microbial interactions, diffusion, microgradients, colony growth, predictive microbiology.
Growth response of microorganisms in foods is a complex process. Innovations in food production and preservation techniques have resulted in adoption of
Ocean wave prediction using numerical and neural network models
Digital Repository Service at National Institute of Oceanography (India)
Mandal, S.; Prabaharan, N.
This paper presents an overview of the development of the numerical wave prediction models and recently used neural networks for ocean wave hindcasting and forecasting. The numerical wave models express the physical concepts of the phenomena...
A mathematical model for predicting earthquake occurrence ...
African Journals Online (AJOL)
We consider the continental crust under damage. We use the observed results of microseism in many seismic stations of the world which was established to study the time series of the activities of the continental crust with a view to predicting possible time of occurrence of earthquake. We consider microseism time series ...
Model for predicting the injury severity score.
Hagiwara, Shuichi; Oshima, Kiyohiro; Murata, Masato; Kaneko, Minoru; Aoki, Makoto; Kanbe, Masahiko; Nakamura, Takuro; Ohyama, Yoshio; Tamura, Jun'ichi
2015-07-01
To determine the formula that predicts the injury severity score from parameters that are obtained in the emergency department at arrival. We reviewed the medical records of trauma patients who were transferred to the emergency department of Gunma University Hospital between January 2010 and December 2010. The injury severity score, age, mean blood pressure, heart rate, Glasgow coma scale, hemoglobin, hematocrit, red blood cell count, platelet count, fibrinogen, international normalized ratio of prothrombin time, activated partial thromboplastin time, and fibrin degradation products, were examined in those patients on arrival. To determine the formula that predicts the injury severity score, multiple linear regression analysis was carried out. The injury severity score was set as the dependent variable, and the other parameters were set as candidate objective variables. IBM spss Statistics 20 was used for the statistical analysis. Statistical significance was set at P Watson ratio was 2.200. A formula for predicting the injury severity score in trauma patients was developed with ordinary parameters such as fibrin degradation products and mean blood pressure. This formula is useful because we can predict the injury severity score easily in the emergency department.
Predicting Career Advancement with Structural Equation Modelling
Heimler, Ronald; Rosenberg, Stuart; Morote, Elsa-Sofia
2012-01-01
Purpose: The purpose of this paper is to use the authors' prior findings concerning basic employability skills in order to determine which skills best predict career advancement potential. Design/methodology/approach: Utilizing survey responses of human resource managers, the employability skills showing the largest relationships to career…
Statistical model based gender prediction for targeted NGS clinical panels
Directory of Open Access Journals (Sweden)
Palani Kannan Kandavel
2017-12-01
The reference test dataset are being used to test the model. The sensitivity on predicting the gender has been increased from the current “genotype composition in ChrX” based approach. In addition, the prediction score given by the model can be used to evaluate the quality of clinical dataset. The higher prediction score towards its respective gender indicates the higher quality of sequenced data.
A predictive pilot model for STOL aircraft landing
Kleinman, D. L.; Killingsworth, W. R.
1974-01-01
An optimal control approach has been used to model pilot performance during STOL flare and landing. The model is used to predict pilot landing performance for three STOL configurations, each having a different level of automatic control augmentation. Model predictions are compared with flight simulator data. It is concluded that the model can be effective design tool for studying analytically the effects of display modifications, different stability augmentation systems, and proposed changes in the landing area geometry.
Estimating Model Prediction Error: Should You Treat Predictions as Fixed or Random?
Wallach, Daniel; Thorburn, Peter; Asseng, Senthold; Challinor, Andrew J.; Ewert, Frank; Jones, James W.; Rotter, Reimund; Ruane, Alexander
2016-01-01
Crop models are important tools for impact assessment of climate change, as well as for exploring management options under current climate. It is essential to evaluate the uncertainty associated with predictions of these models. We compare two criteria of prediction error; MSEP fixed, which evaluates mean squared error of prediction for a model with fixed structure, parameters and inputs, and MSEP uncertain( X), which evaluates mean squared error averaged over the distributions of model structure, inputs and parameters. Comparison of model outputs with data can be used to estimate the former. The latter has a squared bias term, which can be estimated using hindcasts, and a model variance term, which can be estimated from a simulation experiment. The separate contributions to MSEP uncertain (X) can be estimated using a random effects ANOVA. It is argued that MSEP uncertain (X) is the more informative uncertainty criterion, because it is specific to each prediction situation.
Model-based uncertainty in species range prediction
DEFF Research Database (Denmark)
Pearson, R. G.; Thuiller, Wilfried; Bastos Araujo, Miguel
2006-01-01
Aim Many attempts to predict the potential range of species rely on environmental niche (or 'bioclimate envelope') modelling, yet the effects of using different niche-based methodologies require further investigation. Here we investigate the impact that the choice of model can have on predictions...
Wind turbine control and model predictive control for uncertain systems
DEFF Research Database (Denmark)
Thomsen, Sven Creutz
as disturbance models for controller design. The theoretical study deals with Model Predictive Control (MPC). MPC is an optimal control method which is characterized by the use of a receding prediction horizon. MPC has risen in popularity due to its inherent ability to systematically account for time...
Testing and analysis of internal hardwood log defect prediction models
R. Edward Thomas
2011-01-01
The severity and location of internal defects determine the quality and value of lumber sawn from hardwood logs. Models have been developed to predict the size and position of internal defects based on external defect indicator measurements. These models were shown to predict approximately 80% of all internal knots based on external knot indicators. However, the size...
Comparison of Simple Versus Performance-Based Fall Prediction Models
Directory of Open Access Journals (Sweden)
Shekhar K. Gadkaree BS
2015-05-01
Full Text Available Objective: To compare the predictive ability of standard falls prediction models based on physical performance assessments with more parsimonious prediction models based on self-reported data. Design: We developed a series of fall prediction models progressing in complexity and compared area under the receiver operating characteristic curve (AUC across models. Setting: National Health and Aging Trends Study (NHATS, which surveyed a nationally representative sample of Medicare enrollees (age ≥65 at baseline (Round 1: 2011-2012 and 1-year follow-up (Round 2: 2012-2013. Participants: In all, 6,056 community-dwelling individuals participated in Rounds 1 and 2 of NHATS. Measurements: Primary outcomes were 1-year incidence of “ any fall ” and “ recurrent falls .” Prediction models were compared and validated in development and validation sets, respectively. Results: A prediction model that included demographic information, self-reported problems with balance and coordination, and previous fall history was the most parsimonious model that optimized AUC for both any fall (AUC = 0.69, 95% confidence interval [CI] = [0.67, 0.71] and recurrent falls (AUC = 0.77, 95% CI = [0.74, 0.79] in the development set. Physical performance testing provided a marginal additional predictive value. Conclusion: A simple clinical prediction model that does not include physical performance testing could facilitate routine, widespread falls risk screening in the ambulatory care setting.
Models for predicting fuel consumption in sagebrush-dominated ecosystems
Clinton S. Wright
2013-01-01
Fuel consumption predictions are necessary to accurately estimate or model fire effects, including pollutant emissions during wildland fires. Fuel and environmental measurements on a series of operational prescribed fires were used to develop empirical models for predicting fuel consumption in big sagebrush (Artemisia tridentate Nutt.) ecosystems....
Refining the Committee Approach and Uncertainty Prediction in Hydrological Modelling
Kayastha, N.
2014-01-01
Due to the complexity of hydrological systems a single model may be unable to capture the full range of a catchment response and accurately predict the streamflows. The multi modelling approach opens up possibilities for handling such difficulties and allows improve the predictive capability of
A new, accurate predictive model for incident hypertension
DEFF Research Database (Denmark)
Völzke, Henry; Fung, Glenn; Ittermann, Till
2013-01-01
Data mining represents an alternative approach to identify new predictors of multifactorial diseases. This work aimed at building an accurate predictive model for incident hypertension using data mining procedures.......Data mining represents an alternative approach to identify new predictors of multifactorial diseases. This work aimed at building an accurate predictive model for incident hypertension using data mining procedures....
Prediction models for successful external cephalic version: a systematic review
Velzel, Joost; de Hundt, Marcella; Mulder, Frederique M.; Molkenboer, Jan F. M.; van der Post, Joris A. M.; Mol, Ben W.; Kok, Marjolein
2015-01-01
To provide an overview of existing prediction models for successful ECV, and to assess their quality, development and performance. We searched MEDLINE, EMBASE and the Cochrane Library to identify all articles reporting on prediction models for successful ECV published from inception to January 2015.
Hidden Markov Model for quantitative prediction of snowfall
Indian Academy of Sciences (India)
A Hidden Markov Model (HMM) has been developed for prediction of quantitative snowfall in Pir-Panjal and Great Himalayan mountain ranges of Indian Himalaya. The model predicts snowfall for two days in advance using daily recorded nine meteorological variables of past 20 winters from 1992–2012. There are six ...
Mathematical model for dissolved oxygen prediction in Cirata ...
African Journals Online (AJOL)
This paper presents the implementation and performance of mathematical model to predict theconcentration of dissolved oxygen in Cirata Reservoir, West Java by using Artificial Neural Network (ANN). The simulation program was created using Visual Studio 2012 C# software with ANN model implemented in it. Prediction ...
Econometric models for predicting confusion crop ratios
Umberger, D. E.; Proctor, M. H.; Clark, J. E.; Eisgruber, L. M.; Braschler, C. B. (Principal Investigator)
1979-01-01
Results for both the United States and Canada show that econometric models can provide estimates of confusion crop ratios that are more accurate than historical ratios. Whether these models can support the LACIE 90/90 accuracy criterion is uncertain. In the United States, experimenting with additional model formulations could provide improved methods models in some CRD's, particularly in winter wheat. Improved models may also be possible for the Canadian CD's. The more aggressive province/state models outperformed individual CD/CRD models. This result was expected partly because acreage statistics are based on sampling procedures, and the sampling precision declines from the province/state to the CD/CRD level. Declining sampling precision and the need to substitute province/state data for the CD/CRD data introduced measurement error into the CD/CRD models.
PEEX Modelling Platform for Seamless Environmental Prediction
Baklanov, Alexander; Mahura, Alexander; Arnold, Stephen; Makkonen, Risto; Petäjä, Tuukka; Kerminen, Veli-Matti; Lappalainen, Hanna K.; Ezau, Igor; Nuterman, Roman; Zhang, Wen; Penenko, Alexey; Gordov, Evgeny; Zilitinkevich, Sergej; Kulmala, Markku
2017-04-01
The Pan-Eurasian EXperiment (PEEX) is a multidisciplinary, multi-scale research programme stared in 2012 and aimed at resolving the major uncertainties in Earth System Science and global sustainability issues concerning the Arctic and boreal Northern Eurasian regions and in China. Such challenges include climate change, air quality, biodiversity loss, chemicalization, food supply, and the use of natural resources by mining, industry, energy production and transport. The research infrastructure introduces the current state of the art modeling platform and observation systems in the Pan-Eurasian region and presents the future baselines for the coherent and coordinated research infrastructures in the PEEX domain. The PEEX modeling Platform is characterized by a complex seamless integrated Earth System Modeling (ESM) approach, in combination with specific models of different processes and elements of the system, acting on different temporal and spatial scales. The ensemble approach is taken to the integration of modeling results from different models, participants and countries. PEEX utilizes the full potential of a hierarchy of models: scenario analysis, inverse modeling, and modeling based on measurement needs and processes. The models are validated and constrained by available in-situ and remote sensing data of various spatial and temporal scales using data assimilation and top-down modeling. The analyses of the anticipated large volumes of data produced by available models and sensors will be supported by a dedicated virtual research environment developed for these purposes.
Impact of modellers' decisions on hydrological a priori predictions
Holländer, H. M.; Bormann, H.; Blume, T.; Buytaert, W.; Chirico, G. B.; Exbrayat, J.-F.; Gustafsson, D.; Hölzel, H.; Krauße, T.; Kraft, P.; Stoll, S.; Blöschl, G.; Flühler, H.
2014-06-01
In practice, the catchment hydrologist is often confronted with the task of predicting discharge without having the needed records for calibration. Here, we report the discharge predictions of 10 modellers - using the model of their choice - for the man-made Chicken Creek catchment (6 ha, northeast Germany, Gerwin et al., 2009b) and we analyse how well they improved their prediction in three steps based on adding information prior to each following step. The modellers predicted the catchment's hydrological response in its initial phase without having access to the observed records. They used conceptually different physically based models and their modelling experience differed largely. Hence, they encountered two problems: (i) to simulate discharge for an ungauged catchment and (ii) using models that were developed for catchments, which are not in a state of landscape transformation. The prediction exercise was organized in three steps: (1) for the first prediction the modellers received a basic data set describing the catchment to a degree somewhat more complete than usually available for a priori predictions of ungauged catchments; they did not obtain information on stream flow, soil moisture, nor groundwater response and had therefore to guess the initial conditions; (2) before the second prediction they inspected the catchment on-site and discussed their first prediction attempt; (3) for their third prediction they were offered additional data by charging them pro forma with the costs for obtaining this additional information. Holländer et al. (2009) discussed the range of predictions obtained in step (1). Here, we detail the modeller's assumptions and decisions in accounting for the various processes. We document the prediction progress as well as the learning process resulting from the availability of added information. For the second and third steps, the progress in prediction quality is evaluated in relation to individual modelling experience and costs of
Adding propensity scores to pure prediction models fails to improve predictive performance
Directory of Open Access Journals (Sweden)
Amy S. Nowacki
2013-08-01
Full Text Available Background. Propensity score usage seems to be growing in popularity leading researchers to question the possible role of propensity scores in prediction modeling, despite the lack of a theoretical rationale. It is suspected that such requests are due to the lack of differentiation regarding the goals of predictive modeling versus causal inference modeling. Therefore, the purpose of this study is to formally examine the effect of propensity scores on predictive performance. Our hypothesis is that a multivariable regression model that adjusts for all covariates will perform as well as or better than those models utilizing propensity scores with respect to model discrimination and calibration.Methods. The most commonly encountered statistical scenarios for medical prediction (logistic and proportional hazards regression were used to investigate this research question. Random cross-validation was performed 500 times to correct for optimism. The multivariable regression models adjusting for all covariates were compared with models that included adjustment for or weighting with the propensity scores. The methods were compared based on three predictive performance measures: (1 concordance indices; (2 Brier scores; and (3 calibration curves.Results. Multivariable models adjusting for all covariates had the highest average concordance index, the lowest average Brier score, and the best calibration. Propensity score adjustment and inverse probability weighting models without adjustment for all covariates performed worse than full models and failed to improve predictive performance with full covariate adjustment.Conclusion. Propensity score techniques did not improve prediction performance measures beyond multivariable adjustment. Propensity scores are not recommended if the analytical goal is pure prediction modeling.
International Nuclear Information System (INIS)
Li, Suyi; Wang, K W
2013-01-01
A recent study investigated the dynamic characteristics of an adaptive structure concept featuring dual fluidic flexible matrix composite (F 2 MC) cells inspired by the configuration of plant cells and cell walls. This novel bio-inspired system consists of two F 2 MC cells with different fiber angles connected through internal fluid circuits. It was discovered that the dual F 2 MC cellular structure can be characterized as a two degree of freedom damped mass–spring oscillator, and can be utilized as a vibration absorber or an enhanced actuator under different operation conditions. These results demonstrated that the concept is promising and further investigations are needed to develop methodologies for synthesizing future multi-cellular F 2 MC structural systems. While interesting, the previous study focused on specific case studies and analysis. That is, the outcome did not provide insight that could be generalized, or tools for synthesizing a multiple F 2 MC cellular structure. This paper attempts to address this important issue by developing a non-dimensional dynamic model, which reveals good physical insights as well as identifying crucial constitutive parameters for F 2 MC cellular design. Working with these parameters, rather than physical variables, can greatly simplify the mathematics involved in the study. A synthesis tool is then developed for the dual-cellular structure, and it is found that for each set of achievable target poles and zero, there exist multiple F 2 MC cellular designs, forming a design space. The presented physical insights and synthesis tool for the dual-cellular structure will be the building blocks for future investigation on cellular structures with a larger number of cells. (paper)
NOx PREDICTION FOR FBC BOILERS USING EMPIRICAL MODELS
Directory of Open Access Journals (Sweden)
Jiří Štefanica
2014-02-01
Full Text Available Reliable prediction of NOx emissions can provide useful information for boiler design and fuel selection. Recently used kinetic prediction models for FBC boilers are overly complex and require large computing capacity. Even so, there are many uncertainties in the case of FBC boilers. An empirical modeling approach for NOx prediction has been used exclusively for PCC boilers. No reference is available for modifying this method for FBC conditions. This paper presents possible advantages of empirical modeling based prediction of NOx emissions for FBC boilers, together with a discussion of its limitations. Empirical models are reviewed, and are applied to operation data from FBC boilers used for combusting Czech lignite coal or coal-biomass mixtures. Modifications to the model are proposed in accordance with theoretical knowledge and prediction accuracy.
Complex versus simple models: ion-channel cardiac toxicity prediction.
Mistry, Hitesh B
2018-01-01
There is growing interest in applying detailed mathematical models of the heart for ion-channel related cardiac toxicity prediction. However, a debate as to whether such complex models are required exists. Here an assessment in the predictive performance between two established large-scale biophysical cardiac models and a simple linear model B net was conducted. Three ion-channel data-sets were extracted from literature. Each compound was designated a cardiac risk category using two different classification schemes based on information within CredibleMeds. The predictive performance of each model within each data-set for each classification scheme was assessed via a leave-one-out cross validation. Overall the B net model performed equally as well as the leading cardiac models in two of the data-sets and outperformed both cardiac models on the latest. These results highlight the importance of benchmarking complex versus simple models but also encourage the development of simple models.
Complex versus simple models: ion-channel cardiac toxicity prediction
Directory of Open Access Journals (Sweden)
Hitesh B. Mistry
2018-02-01
Full Text Available There is growing interest in applying detailed mathematical models of the heart for ion-channel related cardiac toxicity prediction. However, a debate as to whether such complex models are required exists. Here an assessment in the predictive performance between two established large-scale biophysical cardiac models and a simple linear model Bnet was conducted. Three ion-channel data-sets were extracted from literature. Each compound was designated a cardiac risk category using two different classification schemes based on information within CredibleMeds. The predictive performance of each model within each data-set for each classification scheme was assessed via a leave-one-out cross validation. Overall the Bnet model performed equally as well as the leading cardiac models in two of the data-sets and outperformed both cardiac models on the latest. These results highlight the importance of benchmarking complex versus simple models but also encourage the development of simple models.
Rubinstein, Justin L.; Ellsworth, William L.; Chen, Kate Huihsuan; Uchida, Naoki
2012-01-01
The behavior of individual events in repeating earthquake sequences in California, Taiwan and Japan is better predicted by a model with fixed inter-event time or fixed slip than it is by the time- and slip-predictable models for earthquake occurrence. Given that repeating earthquakes are highly regular in both inter-event time and seismic moment, the time- and slip-predictable models seem ideally suited to explain their behavior. Taken together with evidence from the companion manuscript that shows similar results for laboratory experiments we conclude that the short-term predictions of the time- and slip-predictable models should be rejected in favor of earthquake models that assume either fixed slip or fixed recurrence interval. This implies that the elastic rebound model underlying the time- and slip-predictable models offers no additional value in describing earthquake behavior in an event-to-event sense, but its value in a long-term sense cannot be determined. These models likely fail because they rely on assumptions that oversimplify the earthquake cycle. We note that the time and slip of these events is predicted quite well by fixed slip and fixed recurrence models, so in some sense they are time- and slip-predictable. While fixed recurrence and slip models better predict repeating earthquake behavior than the time- and slip-predictable models, we observe a correlation between slip and the preceding recurrence time for many repeating earthquake sequences in Parkfield, California. This correlation is not found in other regions, and the sequences with the correlative slip-predictable behavior are not distinguishable from nearby earthquake sequences that do not exhibit this behavior.
[Application of ARIMA model on prediction of malaria incidence].
Jing, Xia; Hua-Xun, Zhang; Wen, Lin; Su-Jian, Pei; Ling-Cong, Sun; Xiao-Rong, Dong; Mu-Min, Cao; Dong-Ni, Wu; Shunxiang, Cai
2016-01-29
To predict the incidence of local malaria of Hubei Province applying the Autoregressive Integrated Moving Average model (ARIMA). SPSS 13.0 software was applied to construct the ARIMA model based on the monthly local malaria incidence in Hubei Province from 2004 to 2009. The local malaria incidence data of 2010 were used for model validation and evaluation. The model of ARIMA (1, 1, 1) (1, 1, 0) 12 was tested as relatively the best optimal with the AIC of 76.085 and SBC of 84.395. All the actual incidence data were in the range of 95% CI of predicted value of the model. The prediction effect of the model was acceptable. The ARIMA model could effectively fit and predict the incidence of local malaria of Hubei Province.
Mobility Modelling through Trajectory Decomposition and Prediction
Faghihi, Farbod
2017-01-01
The ubiquity of mobile devices with positioning sensors make it possible to derive user's location at any time. However, constantly sensing the position in order to track the user's movement is not feasible, either due to the unavailability of sensors, or computational and storage burdens. In this thesis, we present and evaluate a novel approach for efficiently tracking user's movement trajectories using decomposition and prediction of trajectories. We facilitate tracking by taking advantage ...
Poisson Mixture Regression Models for Heart Disease Prediction
Erol, Hamza
2016-01-01
Early heart disease control can be achieved by high disease prediction and diagnosis efficiency. This paper focuses on the use of model based clustering techniques to predict and diagnose heart disease via Poisson mixture regression models. Analysis and application of Poisson mixture regression models is here addressed under two different classes: standard and concomitant variable mixture regression models. Results show that a two-component concomitant variable Poisson mixture regression model predicts heart disease better than both the standard Poisson mixture regression model and the ordinary general linear Poisson regression model due to its low Bayesian Information Criteria value. Furthermore, a Zero Inflated Poisson Mixture Regression model turned out to be the best model for heart prediction over all models as it both clusters individuals into high or low risk category and predicts rate to heart disease componentwise given clusters available. It is deduced that heart disease prediction can be effectively done by identifying the major risks componentwise using Poisson mixture regression model. PMID:27999611
Predicting birth weight with conditionally linear transformation models.
Möst, Lisa; Schmid, Matthias; Faschingbauer, Florian; Hothorn, Torsten
2016-12-01
Low and high birth weight (BW) are important risk factors for neonatal morbidity and mortality. Gynecologists must therefore accurately predict BW before delivery. Most prediction formulas for BW are based on prenatal ultrasound measurements carried out within one week prior to birth. Although successfully used in clinical practice, these formulas focus on point predictions of BW but do not systematically quantify uncertainty of the predictions, i.e. they result in estimates of the conditional mean of BW but do not deliver prediction intervals. To overcome this problem, we introduce conditionally linear transformation models (CLTMs) to predict BW. Instead of focusing only on the conditional mean, CLTMs model the whole conditional distribution function of BW given prenatal ultrasound parameters. Consequently, the CLTM approach delivers both point predictions of BW and fetus-specific prediction intervals. Prediction intervals constitute an easy-to-interpret measure of prediction accuracy and allow identification of fetuses subject to high prediction uncertainty. Using a data set of 8712 deliveries at the Perinatal Centre at the University Clinic Erlangen (Germany), we analyzed variants of CLTMs and compared them to standard linear regression estimation techniques used in the past and to quantile regression approaches. The best-performing CLTM variant was competitive with quantile regression and linear regression approaches in terms of conditional coverage and average length of the prediction intervals. We propose that CLTMs be used because they are able to account for possible heteroscedasticity, kurtosis, and skewness of the distribution of BWs. © The Author(s) 2014.
Prediction of hourly solar radiation with multi-model framework
International Nuclear Information System (INIS)
Wu, Ji; Chan, Chee Keong
2013-01-01
Highlights: • A novel approach to predict solar radiation through the use of clustering paradigms. • Development of prediction models based on the intrinsic pattern observed in each cluster. • Prediction based on proper clustering and selection of model on current time provides better results than other methods. • Experiments were conducted on actual solar radiation data obtained from a weather station in Singapore. - Abstract: In this paper, a novel multi-model prediction framework for prediction of solar radiation is proposed. The framework started with the assumption that there are several patterns embedded in the solar radiation series. To extract the underlying pattern, the solar radiation series is first segmented into smaller subsequences, and the subsequences are further grouped into different clusters. For each cluster, an appropriate prediction model is trained. Hence a procedure for pattern identification is developed to identify the proper pattern that fits the current period. Based on this pattern, the corresponding prediction model is applied to obtain the prediction value. The prediction result of the proposed framework is then compared to other techniques. It is shown that the proposed framework provides superior performance as compared to others
Spiliopoulou, Athina; Nagy, Reka; Bermingham, Mairead L.; Huffman, Jennifer E.; Hayward, Caroline; Vitart, Veronique; Rudan, Igor; Campbell, Harry; Wright, Alan F.; Wilson, James F.; Pong-Wong, Ricardo; Agakov, Felix; Navarro, Pau; Haley, Chris S.
2015-01-01
We explore the prediction of individuals' phenotypes for complex traits using genomic data. We compare several widely used prediction models, including Ridge Regression, LASSO and Elastic Nets estimated from cohort data, and polygenic risk scores constructed using published summary statistics from genome-wide association meta-analyses (GWAMA). We evaluate the interplay between relatedness, trait architecture and optimal marker density, by predicting height, body mass index (BMI) and high-density lipoprotein level (HDL) in two data cohorts, originating from Croatia and Scotland. We empirically demonstrate that dense models are better when all genetic effects are small (height and BMI) and target individuals are related to the training samples, while sparse models predict better in unrelated individuals and when some effects have moderate size (HDL). For HDL sparse models achieved good across-cohort prediction, performing similarly to the GWAMA risk score and to models trained within the same cohort, which indicates that, for predicting traits with moderately sized effects, large sample sizes and familial structure become less important, though still potentially useful. Finally, we propose a novel ensemble of whole-genome predictors with GWAMA risk scores and demonstrate that the resulting meta-model achieves higher prediction accuracy than either model on its own. We conclude that although current genomic predictors are not accurate enough for diagnostic purposes, performance can be improved without requiring access to large-scale individual-level data. Our methodologically simple meta-model is a means of performing predictive meta-analysis for optimizing genomic predictions and can be easily extended to incorporate multiple population-level summary statistics or other domain knowledge. PMID:25918167
Model predictive control of a crude oil distillation column
Directory of Open Access Journals (Sweden)
Morten Hovd
1999-04-01
Full Text Available The project of designing and implementing model based predictive control on the vacuum distillation column at the Nynäshamn Refinery of Nynäs AB is described in this paper. The paper describes in detail the modeling for the model based control, covers the controller implementation, and documents the benefits gained from the model based controller.
A burnout prediction model based around char morphology
Energy Technology Data Exchange (ETDEWEB)
T. Wu; E. Lester; M. Cloke [University of Nottingham, Nottingham (United Kingdom). Nottingham Energy and Fuel Centre
2005-07-01
Poor burnout in a coal-fired power plant has marked penalties in the form of reduced energy efficiency and elevated waste material that can not be utilized. The prediction of coal combustion behaviour in a furnace is of great significance in providing valuable information not only for process optimization but also for coal buyers in the international market. Coal combustion models have been developed that can make predictions about burnout behaviour and burnout potential. Most of these kinetic models require standard parameters such as volatile content, particle size and assumed char porosity in order to make a burnout prediction. This paper presents a new model called the Char Burnout Model (ChB) that also uses detailed information about char morphology in its prediction. The model can use data input from one of two sources. Both sources are derived from image analysis techniques. The first from individual analysis and characterization of real char types using an automated program. The second from predicted char types based on data collected during the automated image analysis of coal particles. Modelling results were compared with a different carbon burnout kinetic model and burnout data from re-firing the chars in a drop tube furnace operating at 1300{sup o}C, 5% oxygen across several residence times. An improved agreement between ChB model and DTF experimental data proved that the inclusion of char morphology in combustion models can improve model predictions. 27 refs., 4 figs., 4 tabs.
Questioning the Faith - Models and Prediction in Stream Restoration (Invited)
Wilcock, P.
2013-12-01
River management and restoration demand prediction at and beyond our present ability. Management questions, framed appropriately, can motivate fundamental advances in science, although the connection between research and application is not always easy, useful, or robust. Why is that? This presentation considers the connection between models and management, a connection that requires critical and creative thought on both sides. Essential challenges for managers include clearly defining project objectives and accommodating uncertainty in any model prediction. Essential challenges for the research community include matching the appropriate model to project duration, space, funding, information, and social constraints and clearly presenting answers that are actually useful to managers. Better models do not lead to better management decisions or better designs if the predictions are not relevant to and accepted by managers. In fact, any prediction may be irrelevant if the need for prediction is not recognized. The predictive target must be developed in an active dialog between managers and modelers. This relationship, like any other, can take time to develop. For example, large segments of stream restoration practice have remained resistant to models and prediction because the foundational tenet - that channels built to a certain template will be able to transport the supplied sediment with the available flow - has no essential physical connection between cause and effect. Stream restoration practice can be steered in a predictive direction in which project objectives are defined as predictable attributes and testable hypotheses. If stream restoration design is defined in terms of the desired performance of the channel (static or dynamic, sediment surplus or deficit), then channel properties that provide these attributes can be predicted and a basis exists for testing approximations, models, and predictions.
Predicting Magazine Audiences with a Loglinear Model.
1987-07-01
TITLE (InciudeSecuirty Clauificalson, Predicting !iagaz:ine Atidiences with a Loglinvar \\lode] * 12. PERSONAL AUTHOR(S) * Peter J.1 .:)anahel 1 3&. TYPE...important use of e.d. estimates is in media selection ( Aaker 1975; Lee 1962, 1963; Little and Lodish 1969). All advertising campaigns have a budget. It...BBD we obtain the modified BBD (MBBD). Let X be the number of exposures a person has to k insertions in a single magazine. The mass function of the
Predicting and Modelling of Survival Data when Cox's Regression Model does not hold
DEFF Research Database (Denmark)
Scheike, Thomas H.; Zhang, Mei-Jie
2002-01-01
Aalen model; additive risk model; counting processes; competing risk; Cox regression; flexible modeling; goodness of fit; prediction of survival; survival analysis; time-varying effects......Aalen model; additive risk model; counting processes; competing risk; Cox regression; flexible modeling; goodness of fit; prediction of survival; survival analysis; time-varying effects...
Predicting Error Bars for QSAR Models
International Nuclear Information System (INIS)
Schroeter, Timon; Schwaighofer, Anton; Mika, Sebastian; Ter Laak, Antonius; Suelzle, Detlev; Ganzer, Ursula; Heinrich, Nikolaus; Mueller, Klaus-Robert
2007-01-01
Unfavorable physicochemical properties often cause drug failures. It is therefore important to take lipophilicity and water solubility into account early on in lead discovery. This study presents log D 7 models built using Gaussian Process regression, Support Vector Machines, decision trees and ridge regression algorithms based on 14556 drug discovery compounds of Bayer Schering Pharma. A blind test was conducted using 7013 new measurements from the last months. We also present independent evaluations using public data. Apart from accuracy, we discuss the quality of error bars that can be computed by Gaussian Process models, and ensemble and distance based techniques for the other modelling approaches
Prediction models for successful external cephalic version: a systematic review.
Velzel, Joost; de Hundt, Marcella; Mulder, Frederique M; Molkenboer, Jan F M; Van der Post, Joris A M; Mol, Ben W; Kok, Marjolein
2015-12-01
To provide an overview of existing prediction models for successful ECV, and to assess their quality, development and performance. We searched MEDLINE, EMBASE and the Cochrane Library to identify all articles reporting on prediction models for successful ECV published from inception to January 2015. We extracted information on study design, sample size, model-building strategies and validation. We evaluated the phases of model development and summarized their performance in terms of discrimination, calibration and clinical usefulness. We collected different predictor variables together with their defined significance, in order to identify important predictor variables for successful ECV. We identified eight articles reporting on seven prediction models. All models were subjected to internal validation. Only one model was also validated in an external cohort. Two prediction models had a low overall risk of bias, of which only one showed promising predictive performance at internal validation. This model also completed the phase of external validation. For none of the models their impact on clinical practice was evaluated. The most important predictor variables for successful ECV described in the selected articles were parity, placental location, breech engagement and the fetal head being palpable. One model was assessed using discrimination and calibration using internal (AUC 0.71) and external validation (AUC 0.64), while two other models were assessed with discrimination and calibration, respectively. We found one prediction model for breech presentation that was validated in an external cohort and had acceptable predictive performance. This model should be used to council women considering ECV. Copyright © 2015. Published by Elsevier Ireland Ltd.
Risk Prediction Model for Severe Postoperative Complication in Bariatric Surgery.
Stenberg, Erik; Cao, Yang; Szabo, Eva; Näslund, Erik; Näslund, Ingmar; Ottosson, Johan
2018-01-12
Factors associated with risk for adverse outcome are important considerations in the preoperative assessment of patients for bariatric surgery. As yet, prediction models based on preoperative risk factors have not been able to predict adverse outcome sufficiently. This study aimed to identify preoperative risk factors and to construct a risk prediction model based on these. Patients who underwent a bariatric surgical procedure in Sweden between 2010 and 2014 were identified from the Scandinavian Obesity Surgery Registry (SOReg). Associations between preoperative potential risk factors and severe postoperative complications were analysed using a logistic regression model. A multivariate model for risk prediction was created and validated in the SOReg for patients who underwent bariatric surgery in Sweden, 2015. Revision surgery (standardized OR 1.19, 95% confidence interval (CI) 1.14-0.24, p prediction model. Despite high specificity, the sensitivity of the model was low. Revision surgery, high age, low BMI, large waist circumference, and dyspepsia/GERD were associated with an increased risk for severe postoperative complication. The prediction model based on these factors, however, had a sensitivity that was too low to predict risk in the individual patient case.
AN EFFICIENT PATIENT INFLOW PREDICTION MODEL FOR HOSPITAL RESOURCE MANAGEMENT
Directory of Open Access Journals (Sweden)
Kottalanka Srikanth
2017-07-01
Full Text Available There has been increasing demand in improving service provisioning in hospital resources management. Hospital industries work with strict budget constraint at the same time assures quality care. To achieve quality care with budget constraint an efficient prediction model is required. Recently there has been various time series based prediction model has been proposed to manage hospital resources such ambulance monitoring, emergency care and so on. These models are not efficient as they do not consider the nature of scenario such climate condition etc. To address this artificial intelligence is adopted. The issues with existing prediction are that the training suffers from local optima error. This induces overhead and affects the accuracy in prediction. To overcome the local minima error, this work presents a patient inflow prediction model by adopting resilient backpropagation neural network. Experiment are conducted to evaluate the performance of proposed model inter of RMSE and MAPE. The outcome shows the proposed model reduces RMSE and MAPE over existing back propagation based artificial neural network. The overall outcomes show the proposed prediction model improves the accuracy of prediction which aid in improving the quality of health care management.
Prediction Model for Gastric Cancer Incidence in Korean Population.
Directory of Open Access Journals (Sweden)
Bang Wool Eom
Full Text Available Predicting high risk groups for gastric cancer and motivating these groups to receive regular checkups is required for the early detection of gastric cancer. The aim of this study is was to develop a prediction model for gastric cancer incidence based on a large population-based cohort in Korea.Based on the National Health Insurance Corporation data, we analyzed 10 major risk factors for gastric cancer. The Cox proportional hazards model was used to develop gender specific prediction models for gastric cancer development, and the performance of the developed model in terms of discrimination and calibration was also validated using an independent cohort. Discrimination ability was evaluated using Harrell's C-statistics, and the calibration was evaluated using a calibration plot and slope.During a median of 11.4 years of follow-up, 19,465 (1.4% and 5,579 (0.7% newly developed gastric cancer cases were observed among 1,372,424 men and 804,077 women, respectively. The prediction models included age, BMI, family history, meal regularity, salt preference, alcohol consumption, smoking and physical activity for men, and age, BMI, family history, salt preference, alcohol consumption, and smoking for women. This prediction model showed good accuracy and predictability in both the developing and validation cohorts (C-statistics: 0.764 for men, 0.706 for women.In this study, a prediction model for gastric cancer incidence was developed that displayed a good performance.
Stage-specific predictive models for breast cancer survivability.
Kate, Rohit J; Nadig, Ramya
2017-01-01
Survivability rates vary widely among various stages of breast cancer. Although machine learning models built in past to predict breast cancer survivability were given stage as one of the features, they were not trained or evaluated separately for each stage. To investigate whether there are differences in performance of machine learning models trained and evaluated across different stages for predicting breast cancer survivability. Using three different machine learning methods we built models to predict breast cancer survivability separately for each stage and compared them with the traditional joint models built for all the stages. We also evaluated the models separately for each stage and together for all the stages. Our results show that the most suitable model to predict survivability for a specific stage is the model trained for that particular stage. In our experiments, using additional examples of other stages during training did not help, in fact, it made it worse in some cases. The most important features for predicting survivability were also found to be different for different stages. By evaluating the models separately on different stages we found that the performance widely varied across them. We also demonstrate that evaluating predictive models for survivability on all the stages together, as was done in the past, is misleading because it overestimates performance. Copyright Â© 2016 Elsevier Ireland Ltd. All rights reserved.
Predictive modeling of pedestal structure in KSTAR using EPED model
Energy Technology Data Exchange (ETDEWEB)
Han, Hyunsun; Kim, J. Y. [National Fusion Research Institute, Daejeon 305-806 (Korea, Republic of); Kwon, Ohjin [Department of Physics, Daegu University, Gyeongbuk 712-714 (Korea, Republic of)
2013-10-15
A predictive calculation is given for the structure of edge pedestal in the H-mode plasma of the KSTAR (Korea Superconducting Tokamak Advanced Research) device using the EPED model. Particularly, the dependence of pedestal width and height on various plasma parameters is studied in detail. The two codes, ELITE and HELENA, are utilized for the stability analysis of the peeling-ballooning and kinetic ballooning modes, respectively. Summarizing the main results, the pedestal slope and height have a strong dependence on plasma current, rapidly increasing with it, while the pedestal width is almost independent of it. The plasma density or collisionality gives initially a mild stabilization, increasing the pedestal slope and height, but above some threshold value its effect turns to a destabilization, reducing the pedestal width and height. Among several plasma shape parameters, the triangularity gives the most dominant effect, rapidly increasing the pedestal width and height, while the effect of elongation and squareness appears to be relatively weak. Implication of these edge results, particularly in relation to the global plasma performance, is discussed.
Model predictions for auxiliary heating in spheromaks
International Nuclear Information System (INIS)
Fauler, T.K.; Khua, D.D.
1997-01-01
Calculations are presented of the plasma temperature waited for under auxiliary heating in spheromaks. A model, ensuring good agreement of earlier experiments with joule heating results, is used. The model includes heat losses due to magnetic fluctuations and shows that the plasma temperatures of the kilo-electron-volt order may be achieved in a small device with the radius of 0.3 m only
Validating predictions from climate envelope models.
Directory of Open Access Journals (Sweden)
James I Watling
Full Text Available Climate envelope models are a potentially important conservation tool, but their ability to accurately forecast species' distributional shifts using independent survey data has not been fully evaluated. We created climate envelope models for 12 species of North American breeding birds previously shown to have experienced poleward range shifts. For each species, we evaluated three different approaches to climate envelope modeling that differed in the way they treated climate-induced range expansion and contraction, using random forests and maximum entropy modeling algorithms. All models were calibrated using occurrence data from 1967-1971 (t1 and evaluated using occurrence data from 1998-2002 (t2. Model sensitivity (the ability to correctly classify species presences was greater using the maximum entropy algorithm than the random forest algorithm. Although sensitivity did not differ significantly among approaches, for many species, sensitivity was maximized using a hybrid approach that assumed range expansion, but not contraction, in t2. Species for which the hybrid approach resulted in the greatest improvement in sensitivity have been reported from more land cover types than species for which there was little difference in sensitivity between hybrid and dynamic approaches, suggesting that habitat generalists may be buffered somewhat against climate-induced range contractions. Specificity (the ability to correctly classify species absences was maximized using the random forest algorithm and was lowest using the hybrid approach. Overall, our results suggest cautious optimism for the use of climate envelope models to forecast range shifts, but also underscore the importance of considering non-climate drivers of species range limits. The use of alternative climate envelope models that make different assumptions about range expansion and contraction is a new and potentially useful way to help inform our understanding of climate change effects on
Validating predictions from climate envelope models
Watling, J.; Bucklin, D.; Speroterra, C.; Brandt, L.; Cabal, C.; Romañach, Stephanie S.; Mazzotti, Frank J.
2013-01-01
Climate envelope models are a potentially important conservation tool, but their ability to accurately forecast species’ distributional shifts using independent survey data has not been fully evaluated. We created climate envelope models for 12 species of North American breeding birds previously shown to have experienced poleward range shifts. For each species, we evaluated three different approaches to climate envelope modeling that differed in the way they treated climate-induced range expansion and contraction, using random forests and maximum entropy modeling algorithms. All models were calibrated using occurrence data from 1967–1971 (t1) and evaluated using occurrence data from 1998–2002 (t2). Model sensitivity (the ability to correctly classify species presences) was greater using the maximum entropy algorithm than the random forest algorithm. Although sensitivity did not differ significantly among approaches, for many species, sensitivity was maximized using a hybrid approach that assumed range expansion, but not contraction, in t2. Species for which the hybrid approach resulted in the greatest improvement in sensitivity have been reported from more land cover types than species for which there was little difference in sensitivity between hybrid and dynamic approaches, suggesting that habitat generalists may be buffered somewhat against climate-induced range contractions. Specificity (the ability to correctly classify species absences) was maximized using the random forest algorithm and was lowest using the hybrid approach. Overall, our results suggest cautious optimism for the use of climate envelope models to forecast range shifts, but also underscore the importance of considering non-climate drivers of species range limits. The use of alternative climate envelope models that make different assumptions about range expansion and contraction is a new and potentially useful way to help inform our understanding of climate change effects on species.
Evaluation of wave runup predictions from numerical and parametric models
Stockdon, Hilary F.; Thompson, David M.; Plant, Nathaniel G.; Long, Joseph W.
2014-01-01
Wave runup during storms is a primary driver of coastal evolution, including shoreline and dune erosion and barrier island overwash. Runup and its components, setup and swash, can be predicted from a parameterized model that was developed by comparing runup observations to offshore wave height, wave period, and local beach slope. Because observations during extreme storms are often unavailable, a numerical model is used to simulate the storm-driven runup to compare to the parameterized model and then develop an approach to improve the accuracy of the parameterization. Numerically simulated and parameterized runup were compared to observations to evaluate model accuracies. The analysis demonstrated that setup was accurately predicted by both the parameterized model and numerical simulations. Infragravity swash heights were most accurately predicted by the parameterized model. The numerical model suffered from bias and gain errors that depended on whether a one-dimensional or two-dimensional spatial domain was used. Nonetheless, all of the predictions were significantly correlated to the observations, implying that the systematic errors can be corrected. The numerical simulations did not resolve the incident-band swash motions, as expected, and the parameterized model performed best at predicting incident-band swash heights. An assimilated prediction using a weighted average of the parameterized model and the numerical simulations resulted in a reduction in prediction error variance. Finally, the numerical simulations were extended to include storm conditions that have not been previously observed. These results indicated that the parameterized predictions of setup may need modification for extreme conditions; numerical simulations can be used to extend the validity of the parameterized predictions of infragravity swash; and numerical simulations systematically underpredict incident swash, which is relatively unimportant under extreme conditions.
A neighborhood statistics model for predicting stream pathogen indicator levels.
Pandey, Pramod K; Pasternack, Gregory B; Majumder, Mahbubul; Soupir, Michelle L; Kaiser, Mark S
2015-03-01
Because elevated levels of water-borne Escherichia coli in streams are a leading cause of water quality impairments in the U.S., water-quality managers need tools for predicting aqueous E. coli levels. Presently, E. coli levels may be predicted using complex mechanistic models that have a high degree of unchecked uncertainty or simpler statistical models. To assess spatio-temporal patterns of instream E. coli levels, herein we measured E. coli, a pathogen indicator, at 16 sites (at four different times) within the Squaw Creek watershed, Iowa, and subsequently, the Markov Random Field model was exploited to develop a neighborhood statistics model for predicting instream E. coli levels. Two observed covariates, local water temperature (degrees Celsius) and mean cross-sectional depth (meters), were used as inputs to the model. Predictions of E. coli levels in the water column were compared with independent observational data collected from 16 in-stream locations. The results revealed that spatio-temporal averages of predicted and observed E. coli levels were extremely close. Approximately 66 % of individual predicted E. coli concentrations were within a factor of 2 of the observed values. In only one event, the difference between prediction and observation was beyond one order of magnitude. The mean of all predicted values at 16 locations was approximately 1 % higher than the mean of the observed values. The approach presented here will be useful while assessing instream contaminations such as pathogen/pathogen indicator levels at the watershed scale.
Prediction skill of rainstorm events over India in the TIGGE weather prediction models
Karuna Sagar, S.; Rajeevan, M.; Vijaya Bhaskara Rao, S.; Mitra, A. K.
2017-12-01
Extreme rainfall events pose a serious threat of leading to severe floods in many countries worldwide. Therefore, advance prediction of its occurrence and spatial distribution is very essential. In this paper, an analysis has been made to assess the skill of numerical weather prediction models in predicting rainstorms over India. Using gridded daily rainfall data set and objective criteria, 15 rainstorms were identified during the monsoon season (June to September). The analysis was made using three TIGGE (THe Observing System Research and Predictability Experiment (THORPEX) Interactive Grand Global Ensemble) models. The models considered are the European Centre for Medium-Range Weather Forecasts (ECMWF), National Centre for Environmental Prediction (NCEP) and the UK Met Office (UKMO). Verification of the TIGGE models for 43 observed rainstorm days from 15 rainstorm events has been made for the period 2007-2015. The comparison reveals that rainstorm events are predictable up to 5 days in advance, however with a bias in spatial distribution and intensity. The statistical parameters like mean error (ME) or Bias, root mean square error (RMSE) and correlation coefficient (CC) have been computed over the rainstorm region using the multi-model ensemble (MME) mean. The study reveals that the spread is large in ECMWF and UKMO followed by the NCEP model. Though the ensemble spread is quite small in NCEP, the ensemble member averages are not well predicted. The rank histograms suggest that the forecasts are under prediction. The modified Contiguous Rain Area (CRA) technique was used to verify the spatial as well as the quantitative skill of the TIGGE models. Overall, the contribution from the displacement and pattern errors to the total RMSE is found to be more in magnitude. The volume error increases from 24 hr forecast to 48 hr forecast in all the three models.
Preclinical models used for immunogenicity prediction of therapeutic proteins.
Brinks, Vera; Weinbuch, Daniel; Baker, Matthew; Dean, Yann; Stas, Philippe; Kostense, Stefan; Rup, Bonita; Jiskoot, Wim
2013-07-01
All therapeutic proteins are potentially immunogenic. Antibodies formed against these drugs can decrease efficacy, leading to drastically increased therapeutic costs and in rare cases to serious and sometimes life threatening side-effects. Many efforts are therefore undertaken to develop therapeutic proteins with minimal immunogenicity. For this, immunogenicity prediction of candidate drugs during early drug development is essential. Several in silico, in vitro and in vivo models are used to predict immunogenicity of drug leads, to modify potentially immunogenic properties and to continue development of drug candidates with expected low immunogenicity. Despite the extensive use of these predictive models, their actual predictive value varies. Important reasons for this uncertainty are the limited/insufficient knowledge on the immune mechanisms underlying immunogenicity of therapeutic proteins, the fact that different predictive models explore different components of the immune system and the lack of an integrated clinical validation. In this review, we discuss the predictive models in use, summarize aspects of immunogenicity that these models predict and explore the merits and the limitations of each of the models.
Development of Interpretable Predictive Models for BPH and Prostate Cancer.
Bermejo, Pablo; Vivo, Alicia; Tárraga, Pedro J; Rodríguez-Montes, J A
2015-01-01
Traditional methods for deciding whether to recommend a patient for a prostate biopsy are based on cut-off levels of stand-alone markers such as prostate-specific antigen (PSA) or any of its derivatives. However, in the last decade we have seen the increasing use of predictive models that combine, in a non-linear manner, several predictives that are better able to predict prostate cancer (PC), but these fail to help the clinician to distinguish between PC and benign prostate hyperplasia (BPH) patients. We construct two new models that are capable of predicting both PC and BPH. An observational study was performed on 150 patients with PSA ≥3 ng/mL and age >50 years. We built a decision tree and a logistic regression model, validated with the leave-one-out methodology, in order to predict PC or BPH, or reject both. Statistical dependence with PC and BPH was found for prostate volume (P-value BPH prediction. PSA and volume together help to build predictive models that accurately distinguish among PC, BPH, and patients without any of these pathologies. Our decision tree and logistic regression models outperform the AUC obtained in the compared studies. Using these models as decision support, the number of unnecessary biopsies might be significantly reduced.
Predicting Footbridge Response using Stochastic Load Models
DEFF Research Database (Denmark)
Pedersen, Lars; Frier, Christian
2013-01-01
Walking parameters such as step frequency, pedestrian mass, dynamic load factor, etc. are basically stochastic, although it is quite common to adapt deterministic models for these parameters. The present paper considers a stochastic approach to modeling the action of pedestrians, but when doing so...... decisions need to be made in terms of statistical distributions of walking parameters and in terms of the parameters describing the statistical distributions. The paper explores how sensitive computations of bridge response are to some of the decisions to be made in this respect. This is useful...
A COMPARISON BETWEEN THREE PREDICTIVE MODELS OF COMPUTATIONAL INTELLIGENCE
Directory of Open Access Journals (Sweden)
DUMITRU CIOBANU
2013-12-01
Full Text Available Time series prediction is an open problem and many researchers are trying to find new predictive methods and improvements for the existing ones. Lately methods based on neural networks are used extensively for time series prediction. Also, support vector machines have solved some of the problems faced by neural networks and they began to be widely used for time series prediction. The main drawback of those two methods is that they are global models and in the case of a chaotic time series it is unlikely to find such model. In this paper it is presented a comparison between three predictive from computational intelligence field one based on neural networks one based on support vector machine and another based on chaos theory. We show that the model based on chaos theory is an alternative to the other two methods.
Predicting Market Impact Costs Using Nonparametric Machine Learning Models.
Directory of Open Access Journals (Sweden)
Saerom Park
Full Text Available Market impact cost is the most significant portion of implicit transaction costs that can reduce the overall transaction cost, although it cannot be measured directly. In this paper, we employed the state-of-the-art nonparametric machine learning models: neural networks, Bayesian neural network, Gaussian process, and support vector regression, to predict market impact cost accurately and to provide the predictive model that is versatile in the number of variables. We collected a large amount of real single transaction data of US stock market from Bloomberg Terminal and generated three independent input variables. As a result, most nonparametric machine learning models outperformed a-state-of-the-art benchmark parametric model such as I-star model in four error measures. Although these models encounter certain difficulties in separating the permanent and temporary cost directly, nonparametric machine learning models can be good alternatives in reducing transaction costs by considerably improving in prediction performance.
Predicting Market Impact Costs Using Nonparametric Machine Learning Models.
Park, Saerom; Lee, Jaewook; Son, Youngdoo
2016-01-01
Market impact cost is the most significant portion of implicit transaction costs that can reduce the overall transaction cost, although it cannot be measured directly. In this paper, we employed the state-of-the-art nonparametric machine learning models: neural networks, Bayesian neural network, Gaussian process, and support vector regression, to predict market impact cost accurately and to provide the predictive model that is versatile in the number of variables. We collected a large amount of real single transaction data of US stock market from Bloomberg Terminal and generated three independent input variables. As a result, most nonparametric machine learning models outperformed a-state-of-the-art benchmark parametric model such as I-star model in four error measures. Although these models encounter certain difficulties in separating the permanent and temporary cost directly, nonparametric machine learning models can be good alternatives in reducing transaction costs by considerably improving in prediction performance.
A burnout prediction model based around char morphology
Energy Technology Data Exchange (ETDEWEB)
Tao Wu; Edward Lester; Michael Cloke [University of Nottingham, Nottingham (United Kingdom). School of Chemical, Environmental and Mining Engineering
2006-05-15
Several combustion models have been developed that can make predictions about coal burnout and burnout potential. Most of these kinetic models require standard parameters such as volatile content and particle size to make a burnout prediction. This article presents a new model called the char burnout (ChB) model, which also uses detailed information about char morphology in its prediction. The input data to the model is based on information derived from two different image analysis techniques. One technique generates characterization data from real char samples, and the other predicts char types based on characterization data from image analysis of coal particles. The pyrolyzed chars in this study were created in a drop tube furnace operating at 1300{sup o}C, 200 ms, and 1% oxygen. Modeling results were compared with a different carbon burnout kinetic model as well as the actual burnout data from refiring the same chars in a drop tube furnace operating at 1300{sup o}C, 5% oxygen, and residence times of 200, 400, and 600 ms. A good agreement between ChB model and experimental data indicates that the inclusion of char morphology in combustion models could well improve model predictions. 38 refs., 5 figs., 6 tabs.
Bayesian Age-Period-Cohort Modeling and Prediction - BAMP
Directory of Open Access Journals (Sweden)
Volker J. Schmid
2007-10-01
Full Text Available The software package BAMP provides a method of analyzing incidence or mortality data on the Lexis diagram, using a Bayesian version of an age-period-cohort model. A hierarchical model is assumed with a binomial model in the first-stage. As smoothing priors for the age, period and cohort parameters random walks of first and second order, with and without an additional unstructured component are available. Unstructured heterogeneity can also be included in the model. In order to evaluate the model fit, posterior deviance, DIC and predictive deviances are computed. By projecting the random walk prior into the future, future death rates can be predicted.
Modeling for prediction of restrained shrinkage effect in concrete repair
International Nuclear Information System (INIS)
Yuan Yingshu; Li Guo; Cai Yue
2003-01-01
A general model of autogenous shrinkage caused by chemical reaction (chemical shrinkage) is developed by means of Arrhenius' law and a degree of chemical reaction. Models of tensile creep and relaxation modulus are built based on a viscoelastic, three-element model. Tests of free shrinkage and tensile creep were carried out to determine some coefficients in the models. Two-dimensional FEM analysis based on the models and other constitutions can predict the development of tensile strength and cracking. Three groups of patch-repaired beams were designed for analysis and testing. The prediction from the analysis shows agreement with the test results. The cracking mechanism after repair is discussed
Evaluation of two models for predicting elemental accumulation by arthropods
International Nuclear Information System (INIS)
Webster, J.R.; Crossley, D.A. Jr.
1978-01-01
Two different models have been proposed for predicting elemental accumulation by arthropods. Parameters of both models can be quantified from radioisotope elimination experiments. Our analysis of the 2 models shows that both predict identical elemental accumulation for a whole organism, though differing in the accumulation in body and gut. We quantified both models with experimental data from 134 Cs and 85 Sr elimination by crickets. Computer simulations of radioisotope accumulation were then compared with actual accumulation experiments. Neither model showed exact fit to the experimental data, though both showed the general pattern of elemental accumulation
Uncertainties in model-based outcome predictions for treatment planning
International Nuclear Information System (INIS)
Deasy, Joseph O.; Chao, K.S. Clifford; Markman, Jerry
2001-01-01
Purpose: Model-based treatment-plan-specific outcome predictions (such as normal tissue complication probability [NTCP] or the relative reduction in salivary function) are typically presented without reference to underlying uncertainties. We provide a method to assess the reliability of treatment-plan-specific dose-volume outcome model predictions. Methods and Materials: A practical method is proposed for evaluating model prediction based on the original input data together with bootstrap-based estimates of parameter uncertainties. The general framework is applicable to continuous variable predictions (e.g., prediction of long-term salivary function) and dichotomous variable predictions (e.g., tumor control probability [TCP] or NTCP). Using bootstrap resampling, a histogram of the likelihood of alternative parameter values is generated. For a given patient and treatment plan we generate a histogram of alternative model results by computing the model predicted outcome for each parameter set in the bootstrap list. Residual uncertainty ('noise') is accounted for by adding a random component to the computed outcome values. The residual noise distribution is estimated from the original fit between model predictions and patient data. Results: The method is demonstrated using a continuous-endpoint model to predict long-term salivary function for head-and-neck cancer patients. Histograms represent the probabilities for the level of posttreatment salivary function based on the input clinical data, the salivary function model, and the three-dimensional dose distribution. For some patients there is significant uncertainty in the prediction of xerostomia, whereas for other patients the predictions are expected to be more reliable. In contrast, TCP and NTCP endpoints are dichotomous, and parameter uncertainties should be folded directly into the estimated probabilities, thereby improving the accuracy of the estimates. Using bootstrap parameter estimates, competing treatment
Geospatial application of the Water Erosion Prediction Project (WEPP) Model
D. C. Flanagan; J. R. Frankenberger; T. A. Cochrane; C. S. Renschler; W. J. Elliot
2011-01-01
The Water Erosion Prediction Project (WEPP) model is a process-based technology for prediction of soil erosion by water at hillslope profile, field, and small watershed scales. In particular, WEPP utilizes observed or generated daily climate inputs to drive the surface hydrology processes (infiltration, runoff, ET) component, which subsequently impacts the rest of the...
Techniques for discrimination-free predictive models (Chapter 12)
Kamiran, F.; Calders, T.G.K.; Pechenizkiy, M.; Custers, B.H.M.; Calders, T.G.K.; Schermer, B.W.; Zarsky, T.Z.
2013-01-01
In this chapter, we give an overview of the techniques developed ourselves for constructing discrimination-free classifiers. In discrimination-free classification the goal is to learn a predictive model that classifies future data objects as accurately as possible, yet the predicted labels should be
A model to predict the beginning of the pollen season
DEFF Research Database (Denmark)
Toldam-Andersen, Torben Bo
1991-01-01
for fruit trees are generally applicable, and give a reasonable description of the growth processes of other trees. This type of model can therefore be of value in predicting the start of the pollen season. The predicted dates were generally within 3-5 days of the observed. Finally the possibility of frost...
Statistical models to predict flows at monthly level in Salvajina
International Nuclear Information System (INIS)
Gonzalez, Harold O
1994-01-01
It thinks about and models of lineal regression evaluate at monthly level that they allow to predict flows in Salvajina, with base in predictions variable, like the difference of pressure between Darwin and Tahiti, precipitation in Piendamo Cauca), temperature in Port Chicama (Peru) and pressure in Tahiti
Validation of a tuber blight (Phytophthora infestans) prediction model
Potato tuber blight caused by Phytophthora infestans accounts for significant losses in storage. There is limited published quantitative data on predicting tuber blight. We validated a tuber blight prediction model developed in New York with cultivars Allegany, NY 101, and Katahdin using independent...
Global vegetation change predicted by the modified Budyko model
Energy Technology Data Exchange (ETDEWEB)
Monserud, R.A.; Tchebakova, N.M.; Leemans, R. (US Department of Agriculture, Moscow, ID (United States). Intermountain Research Station, Forest Service)
1993-09-01
A modified Budyko global vegetation model is used to predict changes in global vegetation patterns resulting from climate change (CO[sub 2] doubling). Vegetation patterns are predicted using a model based on a dryness index and potential evaporation determined by solving radiation balance equations. Climate change scenarios are derived from predictions from four General Circulation Models (GCM's) of the atmosphere (GFDL, GISS, OSU, and UKMO). All four GCM scenarios show similar trends in vegetation shifts and in areas that remain stable, although the UKMO scenario predicts greater warming than the others. Climate change maps produced by all four GCM scenarios show good agreement with the current climate vegetation map for the globe as a whole, although over half of the vegetation classes show only poor to fair agreement. The most stable areas are Desert and Ice/Polar Desert. Because most of the predicted warming is concentrated in the Boreal and Temperate zones, vegetation there is predicted to undergo the greatest change. Most vegetation classes in the Subtropics and Tropics are predicted to expand. Any shift in the Tropics favouring either Forest over Savanna, or vice versa, will be determined by the magnitude of the increased precipitation accompanying global warming. Although the model predicts equilibrium conditions to which many plant species cannot adjust (through migration or microevolution) in the 50-100 y needed for CO[sub 2] doubling, it is not clear if projected global warming will result in drastic or benign vegetation change. 72 refs., 3 figs., 3 tabs.
Moment based model predictive control for systems with additive uncertainty
Saltik, M.B.; Ozkan, L.; Weiland, S.; Ludlage, J.H.A.
2017-01-01
In this paper, we present a model predictive control (MPC) strategy based on the moments of the state variables and the cost functional. The statistical properties of the state predictions are calculated through the open loop iteration of dynamics and used in the formulation of MPC cost function. We
Risk predictive modelling for diabetes and cardiovascular disease.
Kengne, Andre Pascal; Masconi, Katya; Mbanya, Vivian Nchanchou; Lekoubou, Alain; Echouffo-Tcheugui, Justin Basile; Matsha, Tandi E
2014-02-01
Absolute risk models or clinical prediction models have been incorporated in guidelines, and are increasingly advocated as tools to assist risk stratification and guide prevention and treatments decisions relating to common health conditions such as cardiovascular disease (CVD) and diabetes mellitus. We have reviewed the historical development and principles of prediction research, including their statistical underpinning, as well as implications for routine practice, with a focus on predictive modelling for CVD and diabetes. Predictive modelling for CVD risk, which has developed over the last five decades, has been largely influenced by the Framingham Heart Study investigators, while it is only ∼20 years ago that similar efforts were started in the field of diabetes. Identification of predictive factors is an important preliminary step which provides the knowledge base on potential predictors to be tested for inclusion during the statistical derivation of the final model. The derived models must then be tested both on the development sample (internal validation) and on other populations in different settings (external validation). Updating procedures (e.g. recalibration) should be used to improve the performance of models that fail the tests of external validation. Ultimately, the effect of introducing validated models in routine practice on the process and outcomes of care as well as its cost-effectiveness should be tested in impact studies before wide dissemination of models beyond the research context. Several predictions models have been developed for CVD or diabetes, but very few have been externally validated or tested in impact studies, and their comparative performance has yet to be fully assessed. A shift of focus from developing new CVD or diabetes prediction models to validating the existing ones will improve their adoption in routine practice.
Mixed models for predictive modeling in actuarial science
Antonio, K.; Zhang, Y.
2012-01-01
We start with a general discussion of mixed (also called multilevel) models and continue with illustrating specific (actuarial) applications of this type of models. Technical details on (linear, generalized, non-linear) mixed models follow: model assumptions, specifications, estimation techniques
A multivariate model for predicting segmental body composition.
Tian, Simiao; Mioche, Laurence; Denis, Jean-Baptiste; Morio, Béatrice
2013-12-01
The aims of the present study were to propose a multivariate model for predicting simultaneously body, trunk and appendicular fat and lean masses from easily measured variables and to compare its predictive capacity with that of the available univariate models that predict body fat percentage (BF%). The dual-energy X-ray absorptiometry (DXA) dataset (52% men and 48% women) with White, Black and Hispanic ethnicities (1999-2004, National Health and Nutrition Examination Survey) was randomly divided into three sub-datasets: a training dataset (TRD), a test dataset (TED); a validation dataset (VAD), comprising 3835, 1917 and 1917 subjects. For each sex, several multivariate prediction models were fitted from the TRD using age, weight, height and possibly waist circumference. The most accurate model was selected from the TED and then applied to the VAD and a French DXA dataset (French DB) (526 men and 529 women) to assess the prediction accuracy in comparison with that of five published univariate models, for which adjusted formulas were re-estimated using the TRD. Waist circumference was found to improve the prediction accuracy, especially in men. For BF%, the standard error of prediction (SEP) values were 3.26 (3.75) % for men and 3.47 (3.95)% for women in the VAD (French DB), as good as those of the adjusted univariate models. Moreover, the SEP values for the prediction of body and appendicular lean masses ranged from 1.39 to 2.75 kg for both the sexes. The prediction accuracy was best for age < 65 years, BMI < 30 kg/m2 and the Hispanic ethnicity. The application of our multivariate model to large populations could be useful to address various public health issues.
The Selection of Turbulence Models for Prediction of Room Airflow
DEFF Research Database (Denmark)
Nielsen, Peter V.
This paper discusses the use of different turbulence models and their advantages in given situations. As an example, it is shown that a simple zero-equation model can be used for the prediction of special situations as flow with a low level of turbulence. A zero-equation model with compensation...
Testing the Predictions of the Central Capacity Sharing Model
Tombu, Michael; Jolicoeur, Pierre
2005-01-01
The divergent predictions of 2 models of dual-task performance are investigated. The central bottleneck and central capacity sharing models argue that a central stage of information processing is capacity limited, whereas stages before and after are capacity free. The models disagree about the nature of this central capacity limitation. The…
Scanpath Based N-Gram Models for Predicting Reading Behavior
DEFF Research Database (Denmark)
Mishra, Abhijit; Bhattacharyya, Pushpak; Carl, Michael
2013-01-01
Predicting reading behavior is a difficult task. Reading behavior depends on various linguistic factors (e.g. sentence length, structural complexity etc.) and other factors (e.g individual's reading style, age etc.). Ideally, a reading model should be similar to a language model where the model i...
Droplet-model predictions of charge moments
International Nuclear Information System (INIS)
Myers, W.D.
1982-04-01
The Droplet Model expressions for calculating various moments of the nuclear charge distribution are given. There are contributions to the moments from the size and shape of the system, from the internal redistribution induced by the Coulomb repulsion, and from the diffuseness of the surface. A case is made for the use of diffuse charge distributions generated by convolution as an alternative to Fermi-functions
Haskell financial data modeling and predictive analytics
Ryzhov, Pavel
2013-01-01
This book is a hands-on guide that teaches readers how to use Haskell's tools and libraries to analyze data from real-world sources in an easy-to-understand manner.This book is great for developers who are new to financial data modeling using Haskell. A basic knowledge of functional programming is not required but will be useful. An interest in high frequency finance is essential.
An analysis of seasonal predictability in coupled model forecasts
Energy Technology Data Exchange (ETDEWEB)
Peng, P.; Wang, W. [NOAA, Climate Prediction Center, Washington, DC (United States); Kumar, A. [NOAA, Climate Prediction Center, Washington, DC (United States); NCEP/NWS/NOAA, Climate Prediction Center, Camp Springs, MD (United States)
2011-02-15
In the recent decade, operational seasonal prediction systems based on initialized coupled models have been developed. An analysis of how the predictability of seasonal means in the initialized coupled predictions evolves with lead-time is presented. Because of the short lead-time, such an analysis for the temporal behavior of seasonal predictability involves a mix of both the predictability of the first and the second kind. The analysis focuses on the lead-time dependence of ensemble mean variance, and the forecast spread. Further, the analysis is for a fixed target season of December-January-February, and is for sea surface temperature, rainfall, and 200-mb height. The analysis is based on a large set of hindcasts from an initialized coupled seasonal prediction system. Various aspects of predictability of the first and the second kind are highlighted for variables with long (for example, SST), and fast (for example, atmospheric) adjustment time scale. An additional focus of the analysis is how the predictability in the initialized coupled seasonal predictions compares with estimates based on the AMIP simulations. The results indicate that differences in the set up of AMIP simulations and coupled predictions, for example, representation of air-sea interactions, and evolution of forecast spread from initial conditions do not change fundamental conclusion about the seasonal predictability. A discussion of the analysis presented herein, and its implications for the use of AMIP simulations for climate attribution, and for time-slice experiments to provide regional information, is also included. (orig.)
Using Pareto points for model identification in predictive toxicology
2013-01-01
Predictive toxicology is concerned with the development of models that are able to predict the toxicity of chemicals. A reliable prediction of toxic effects of chemicals in living systems is highly desirable in cosmetics, drug design or food protection to speed up the process of chemical compound discovery while reducing the need for lab tests. There is an extensive literature associated with the best practice of model generation and data integration but management and automated identification of relevant models from available collections of models is still an open problem. Currently, the decision on which model should be used for a new chemical compound is left to users. This paper intends to initiate the discussion on automated model identification. We present an algorithm, based on Pareto optimality, which mines model collections and identifies a model that offers a reliable prediction for a new chemical compound. The performance of this new approach is verified for two endpoints: IGC50 and LogP. The results show a great potential for automated model identification methods in predictive toxicology. PMID:23517649
Hybrid Corporate Performance Prediction Model Considering Technical Capability
Directory of Open Access Journals (Sweden)
Joonhyuck Lee
2016-07-01
Full Text Available Many studies have tried to predict corporate performance and stock prices to enhance investment profitability using qualitative approaches such as the Delphi method. However, developments in data processing technology and machine-learning algorithms have resulted in efforts to develop quantitative prediction models in various managerial subject areas. We propose a quantitative corporate performance prediction model that applies the support vector regression (SVR algorithm to solve the problem of the overfitting of training data and can be applied to regression problems. The proposed model optimizes the SVR training parameters based on the training data, using the genetic algorithm to achieve sustainable predictability in changeable markets and managerial environments. Technology-intensive companies represent an increasing share of the total economy. The performance and stock prices of these companies are affected by their financial standing and their technological capabilities. Therefore, we apply both financial indicators and technical indicators to establish the proposed prediction model. Here, we use time series data, including financial, patent, and corporate performance information of 44 electronic and IT companies. Then, we predict the performance of these companies as an empirical verification of the prediction performance of the proposed model.
Modeling Jambo wastewater treatment system to predict water re ...
African Journals Online (AJOL)
user
C++ programme to implement Brown's model for determining water quality usage ... predicting the re-use options of the wastewater treatment system was a ... skins from rural slaughter slabs/butchers, slaughter .... City (Karnataka State, India).
FPGA implementation of predictive degradation model for engine oil lifetime
Idros, M. F. M.; Razak, A. H. A.; Junid, S. A. M. Al; Suliman, S. I.; Halim, A. K.
2018-03-01
This paper presents the implementation of linear regression model for degradation prediction on Register Transfer Logic (RTL) using QuartusII. A stationary model had been identified in the degradation trend for the engine oil in a vehicle in time series method. As for RTL implementation, the degradation model is written in Verilog HDL and the data input are taken at a certain time. Clock divider had been designed to support the timing sequence of input data. At every five data, a regression analysis is adapted for slope variation determination and prediction calculation. Here, only the negative value are taken as the consideration for the prediction purposes for less number of logic gate. Least Square Method is adapted to get the best linear model based on the mean values of time series data. The coded algorithm has been implemented on FPGA for validation purposes. The result shows the prediction time to change the engine oil.
Linear regression crash prediction models : issues and proposed solutions.
2010-05-01
The paper develops a linear regression model approach that can be applied to : crash data to predict vehicle crashes. The proposed approach involves novice data aggregation : to satisfy linear regression assumptions; namely error structure normality ...
On the Predictiveness of Single-Field Inflationary Models
Burgess, C.P.; Trott, Michael
2014-01-01
We re-examine the predictiveness of single-field inflationary models and discuss how an unknown UV completion can complicate determining inflationary model parameters from observations, even from precision measurements. Besides the usual naturalness issues associated with having a shallow inflationary potential, we describe another issue for inflation, namely, unknown UV physics modifies the running of Standard Model (SM) parameters and thereby introduces uncertainty into the potential inflationary predictions. We illustrate this point using the minimal Higgs Inflationary scenario, which is arguably the most predictive single-field model on the market, because its predictions for $A_s$, $r$ and $n_s$ are made using only one new free parameter beyond those measured in particle physics experiments, and run up to the inflationary regime. We find that this issue can already have observable effects. At the same time, this UV-parameter dependence in the Renormalization Group allows Higgs Inflation to occur (in prin...
Compensatory versus noncompensatory models for predicting consumer preferences
Directory of Open Access Journals (Sweden)
Anja Dieckmann
2009-04-01
Full Text Available Standard preference models in consumer research assume that people weigh and add all attributes of the available options to derive a decision, while there is growing evidence for the use of simplifying heuristics. Recently, a greedoid algorithm has been developed (Yee, Dahan, Hauser and Orlin, 2007; Kohli and Jedidi, 2007 to model lexicographic heuristics from preference data. We compare predictive accuracies of the greedoid approach and standard conjoint analysis in an online study with a rating and a ranking task. The lexicographic model derived from the greedoid algorithm was better at predicting ranking compared to rating data, but overall, it achieved lower predictive accuracy for hold-out data than the compensatory model estimated by conjoint analysis. However, a considerable minority of participants was better predicted by lexicographic strategies. We conclude that the new algorithm will not replace standard tools for analyzing preferences, but can boost the study of situational and individual differences in preferential choice processes.
Preoperative prediction model of outcome after cholecystectomy for symptomatic gallstones
DEFF Research Database (Denmark)
Borly, L; Anderson, I B; Bardram, L
1999-01-01
and sonography evaluated gallbladder motility, gallstones, and gallbladder volume. Preoperative variables in patients with or without postcholecystectomy pain were compared statistically, and significant variables were combined in a logistic regression model to predict the postoperative outcome. RESULTS: Eighty...... and by the absence of 'agonizing' pain and of symptoms coinciding with pain (P model 15 of 18 predicted patients had postoperative pain (PVpos = 0.83). Of 62 patients predicted as having no pain postoperatively, 56 were pain-free (PVneg = 0.90). Overall accuracy...... was 89%. CONCLUSION: From this prospective study a model based on preoperative symptoms was developed to predict postcholecystectomy pain. Since intrastudy reclassification may give too optimistic results, the model should be validated in future studies....
Prediction of Chemical Function: Model Development and Application
The United States Environmental Protection Agency’s Exposure Forecaster (ExpoCast) project is developing both statistical and mechanism-based computational models for predicting exposures to thousands of chemicals, including those in consumer products. The high-throughput (...
models for predicting compressive strength and water absorption
African Journals Online (AJOL)
user
presents a mathematical model for predicting the compressive strength and water absorption of laterite-quarry dust cement block using ... building and construction of new infrastructure and .... In (6), R is a vector containing the real ratios of the.
Fuzzy model predictive control algorithm applied in nuclear power plant
International Nuclear Information System (INIS)
Zuheir, Ahmad
2006-01-01
The aim of this paper is to design a predictive controller based on a fuzzy model. The Takagi-Sugeno fuzzy model with an Adaptive B-splines neuro-fuzzy implementation is used and incorporated as a predictor in a predictive controller. An optimization approach with a simplified gradient technique is used to calculate predictions of the future control actions. In this approach, adaptation of the fuzzy model using dynamic process information is carried out to build the predictive controller. The easy description of the fuzzy model and the easy computation of the gradient sector during the optimization procedure are the main advantages of the computation algorithm. The algorithm is applied to the control of a U-tube steam generation unit (UTSG) used for electricity generation. (author)
MDOT Pavement Management System : Prediction Models and Feedback System
2000-10-01
As a primary component of a Pavement Management System (PMS), prediction models are crucial for one or more of the following analyses: : maintenance planning, budgeting, life-cycle analysis, multi-year optimization of maintenance works program, and a...
Predictive modelling using neuroimaging data in the presence of confounds.
Rao, Anil; Monteiro, Joao M; Mourao-Miranda, Janaina
2017-04-15
When training predictive models from neuroimaging data, we typically have available non-imaging variables such as age and gender that affect the imaging data but which we may be uninterested in from a clinical perspective. Such variables are commonly referred to as 'confounds'. In this work, we firstly give a working definition for confound in the context of training predictive models from samples of neuroimaging data. We define a confound as a variable which affects the imaging data and has an association with the target variable in the sample that differs from that in the population-of-interest, i.e., the population over which we intend to apply the estimated predictive model. The focus of this paper is the scenario in which the confound and target variable are independent in the population-of-interest, but the training sample is biased due to a sample association between the target and confound. We then discuss standard approaches for dealing with confounds in predictive modelling such as image adjustment and including the confound as a predictor, before deriving and motivating an Instance Weighting scheme that attempts to account for confounds by focusing model training so that it is optimal for the population-of-interest. We evaluate the standard approaches and Instance Weighting in two regression problems with neuroimaging data in which we train models in the presence of confounding, and predict samples that are representative of the population-of-interest. For comparison, these models are also evaluated when there is no confounding present. In the first experiment we predict the MMSE score using structural MRI from the ADNI database with gender as the confound, while in the second we predict age using structural MRI from the IXI database with acquisition site as the confound. Considered over both datasets we find that none of the methods for dealing with confounding gives more accurate predictions than a baseline model which ignores confounding, although
Modeling Seizure Self-Prediction: An E-Diary Study
Haut, Sheryl R.; Hall, Charles B.; Borkowski, Thomas; Tennen, Howard; Lipton, Richard B.
2013-01-01
Purpose A subset of patients with epilepsy successfully self-predicted seizures in a paper diary study. We conducted an e-diary study to ensure that prediction precedes seizures, and to characterize the prodromal features and time windows that underlie self-prediction. Methods Subjects 18 or older with LRE and ≥3 seizures/month maintained an e-diary, reporting AM/PM data daily, including mood, premonitory symptoms, and all seizures. Self-prediction was rated by, “How likely are you to experience a seizure [time frame]”? Five choices ranged from almost certain (>95% chance) to very unlikely. Relative odds of seizure (OR) within time frames was examined using Poisson models with log normal random effects to adjust for multiple observations. Key Findings Nineteen subjects reported 244 eligible seizures. OR for prediction choices within 6hrs was as high as 9.31 (1.92,45.23) for “almost certain”. Prediction was most robust within 6hrs of diary entry, and remained significant up to 12hrs. For 9 best predictors, average sensitivity was 50%. Older age contributed to successful self-prediction, and self-prediction appeared to be driven by mood and premonitory symptoms. In multivariate modeling of seizure occurrence, self-prediction (2.84; 1.68,4.81), favorable change in mood (0.82; 0.67,0.99) and number of premonitory symptoms (1,11; 1.00,1.24) were significant. Significance Some persons with epilepsy can self-predict seizures. In these individuals, the odds of a seizure following a positive prediction are high. Predictions were robust, not attributable to recall bias, and were related to self awareness of mood and premonitory features. The 6-hour prediction window is suitable for the development of pre-emptive therapy. PMID:24111898
Prediction of cloud droplet number in a general circulation model
Energy Technology Data Exchange (ETDEWEB)
Ghan, S.J.; Leung, L.R. [Pacific Northwest National Lab., Richland, WA (United States)
1996-04-01
We have applied the Colorado State University Regional Atmospheric Modeling System (RAMS) bulk cloud microphysics parameterization to the treatment of stratiform clouds in the National Center for Atmospheric Research Community Climate Model (CCM2). The RAMS predicts mass concentrations of cloud water, cloud ice, rain and snow, and number concnetration of ice. We have introduced the droplet number conservation equation to predict droplet number and it`s dependence on aerosols.
Approximating prediction uncertainty for random forest regression models
John W. Coulston; Christine E. Blinn; Valerie A. Thomas; Randolph H. Wynne
2016-01-01
Machine learning approaches such as random forest haveÂ increased for the spatial modeling and mapping of continuousÂ variables. Random forest is a non-parametric ensembleÂ approach, and unlike traditional regression approaches thereÂ is no direct quantification of prediction error. UnderstandingÂ prediction uncertainty is important when using model-basedÂ continuous maps as...
Aqua/Aura Updated Inclination Adjust Maneuver Performance Prediction Model
Boone, Spencer
2017-01-01
This presentation will discuss the updated Inclination Adjust Maneuver (IAM) performance prediction model that was developed for Aqua and Aura following the 2017 IAM series. This updated model uses statistical regression methods to identify potential long-term trends in maneuver parameters, yielding improved predictions when re-planning past maneuvers. The presentation has been reviewed and approved by Eric Moyer, ESMO Deputy Project Manager.
Model Predictive Control of Wind Turbines
DEFF Research Database (Denmark)
Henriksen, Lars Christian
Wind turbines play a major role in the transformation from a fossil fuel based energy production to a more sustainable production of energy. Total-cost-of-ownership is an important parameter when investors decide in which energy technology they should place their capital. Modern wind turbines...... the need for maintenance of the wind turbine. Either way, better total-cost-of-ownership for wind turbine operators can be achieved by improved control of the wind turbines. Wind turbine control can be improved in two ways, by improving the model on which the controller bases its design or by improving...
Nonconvex Model Predictive Control for Commercial Refrigeration
DEFF Research Database (Denmark)
Hovgaard, Tobias Gybel; Larsen, Lars F.S.; Jørgensen, John Bagterp
2013-01-01
function, however, is nonconvex due to the temperature dependence of thermodynamic efficiency. To handle this nonconvexity we propose a sequential convex optimization method, which typically converges in fewer than 5 or so iterations. We employ a fast convex quadratic programming solver to carry out...... the iterations, which is more than fast enough to run in real-time. We demonstrate our method on a realistic model, with a full year simulation and 15 minute time periods, using historical electricity prices and weather data, as well as random variations in thermal load. These simulations show substantial cost...... capacity associated with large penetration of intermittent renewable energy sources in a future smart grid....
Catalytic cracking models developed for predictive control purposes
Directory of Open Access Journals (Sweden)
Dag Ljungqvist
1993-04-01
Full Text Available The paper deals with state-space modeling issues in the context of model-predictive control, with application to catalytic cracking. Emphasis is placed on model establishment, verification and online adjustment. Both the Fluid Catalytic Cracking (FCC and the Residual Catalytic Cracking (RCC units are discussed. Catalytic cracking units involve complex interactive processes which are difficult to operate and control in an economically optimal way. The strong nonlinearities of the FCC process mean that the control calculation should be based on a nonlinear model with the relevant constraints included. However, the model can be simple compared to the complexity of the catalytic cracking plant. Model validity is ensured by a robust online model adjustment strategy. Model-predictive control schemes based on linear convolution models have been successfully applied to the supervisory dynamic control of catalytic cracking units, and the control can be further improved by the SSPC scheme.
Toward a predictive model for elastomer seals
Molinari, Nicola; Khawaja, Musab; Sutton, Adrian; Mostofi, Arash
Nitrile butadiene rubber (NBR) and hydrogenated-NBR (HNBR) are widely used elastomers, especially as seals in oil and gas applications. During exposure to well-hole conditions, ingress of gases causes degradation of performance, including mechanical failure. We use computer simulations to investigate this problem at two different length and time-scales. First, we study the solubility of gases in the elastomer using a chemically-inspired description of HNBR based on the OPLS all-atom force-field. Starting with a model of NBR, C=C double bonds are saturated with either hydrogen or intramolecular cross-links, mimicking the hydrogenation of NBR to form HNBR. We validate against trends for the mass density and glass transition temperature for HNBR as a function of cross-link density, and for NBR as a function of the fraction of acrylonitrile in the copolymer. Second, we study mechanical behaviour using a coarse-grained model that overcomes some of the length and time-scale limitations of an all-atom approach. Nanoparticle fillers added to the elastomer matrix to enhance mechanical response are also included. Our initial focus is on understanding the mechanical properties at the elevated temperatures and pressures experienced in well-hole conditions.
Predictive QSAR Models for the Toxicity of Disinfection Byproducts
Directory of Open Access Journals (Sweden)
Litang Qin
2017-10-01
Full Text Available Several hundred disinfection byproducts (DBPs in drinking water have been identified, and are known to have potentially adverse health effects. There are toxicological data gaps for most DBPs, and the predictive method may provide an effective way to address this. The development of an in-silico model of toxicology endpoints of DBPs is rarely studied. The main aim of the present study is to develop predictive quantitative structure–activity relationship (QSAR models for the reactive toxicities of 50 DBPs in the five bioassays of X-Microtox, GSH+, GSH−, DNA+ and DNA−. All-subset regression was used to select the optimal descriptors, and multiple linear-regression models were built. The developed QSAR models for five endpoints satisfied the internal and external validation criteria: coefficient of determination (R2 > 0.7, explained variance in leave-one-out prediction (Q2LOO and in leave-many-out prediction (Q2LMO > 0.6, variance explained in external prediction (Q2F1, Q2F2, and Q2F3 > 0.7, and concordance correlation coefficient (CCC > 0.85. The application domains and the meaning of the selective descriptors for the QSAR models were discussed. The obtained QSAR models can be used in predicting the toxicities of the 50 DBPs.
Predictive QSAR Models for the Toxicity of Disinfection Byproducts.
Qin, Litang; Zhang, Xin; Chen, Yuhan; Mo, Lingyun; Zeng, Honghu; Liang, Yanpeng
2017-10-09
Several hundred disinfection byproducts (DBPs) in drinking water have been identified, and are known to have potentially adverse health effects. There are toxicological data gaps for most DBPs, and the predictive method may provide an effective way to address this. The development of an in-silico model of toxicology endpoints of DBPs is rarely studied. The main aim of the present study is to develop predictive quantitative structure-activity relationship (QSAR) models for the reactive toxicities of 50 DBPs in the five bioassays of X-Microtox, GSH+, GSH-, DNA+ and DNA-. All-subset regression was used to select the optimal descriptors, and multiple linear-regression models were built. The developed QSAR models for five endpoints satisfied the internal and external validation criteria: coefficient of determination ( R ²) > 0.7, explained variance in leave-one-out prediction ( Q ² LOO ) and in leave-many-out prediction ( Q ² LMO ) > 0.6, variance explained in external prediction ( Q ² F1 , Q ² F2 , and Q ² F3 ) > 0.7, and concordance correlation coefficient ( CCC ) > 0.85. The application domains and the meaning of the selective descriptors for the QSAR models were discussed. The obtained QSAR models can be used in predicting the toxicities of the 50 DBPs.
Predictions for mt and MW in minimal supersymmetric models
International Nuclear Information System (INIS)
Buchmueller, O.; Ellis, J.R.; Flaecher, H.; Isidori, G.
2009-12-01
Using a frequentist analysis of experimental constraints within two versions of the minimal supersymmetric extension of the Standard Model, we derive the predictions for the top quark mass, m t , and the W boson mass, m W . We find that the supersymmetric predictions for both m t and m W , obtained by incorporating all the relevant experimental information and state-of-the-art theoretical predictions, are highly compatible with the experimental values with small remaining uncertainties, yielding an improvement compared to the case of the Standard Model. (orig.)
Using a Prediction Model to Manage Cyber Security Threats
Directory of Open Access Journals (Sweden)
Venkatesh Jaganathan
2015-01-01
Full Text Available Cyber-attacks are an important issue faced by all organizations. Securing information systems is critical. Organizations should be able to understand the ecosystem and predict attacks. Predicting attacks quantitatively should be part of risk management. The cost impact due to worms, viruses, or other malicious software is significant. This paper proposes a mathematical model to predict the impact of an attack based on significant factors that influence cyber security. This model also considers the environmental information required. It is generalized and can be customized to the needs of the individual organization.
Using a Prediction Model to Manage Cyber Security Threats.
Jaganathan, Venkatesh; Cherurveettil, Priyesh; Muthu Sivashanmugam, Premapriya
2015-01-01
Cyber-attacks are an important issue faced by all organizations. Securing information systems is critical. Organizations should be able to understand the ecosystem and predict attacks. Predicting attacks quantitatively should be part of risk management. The cost impact due to worms, viruses, or other malicious software is significant. This paper proposes a mathematical model to predict the impact of an attack based on significant factors that influence cyber security. This model also considers the environmental information required. It is generalized and can be customized to the needs of the individual organization.
Using a Prediction Model to Manage Cyber Security Threats
Muthu Sivashanmugam, Premapriya
2015-01-01
Cyber-attacks are an important issue faced by all organizations. Securing information systems is critical. Organizations should be able to understand the ecosystem and predict attacks. Predicting attacks quantitatively should be part of risk management. The cost impact due to worms, viruses, or other malicious software is significant. This paper proposes a mathematical model to predict the impact of an attack based on significant factors that influence cyber security. This model also considers the environmental information required. It is generalized and can be customized to the needs of the individual organization. PMID:26065024
Aero-acoustic noise of wind turbines. Noise prediction models
Energy Technology Data Exchange (ETDEWEB)
Maribo Pedersen, B. [ed.
1997-12-31
Semi-empirical and CAA (Computational AeroAcoustics) noise prediction techniques are the subject of this expert meeting. The meeting presents and discusses models and methods. The meeting may provide answers to the following questions: What Noise sources are the most important? How are the sources best modeled? What needs to be done to do better predictions? Does it boil down to correct prediction of the unsteady aerodynamics around the rotor? Or is the difficult part to convert the aerodynamics into acoustics? (LN)
Model Predictive Control of a Wave Energy Converter
DEFF Research Database (Denmark)
Andersen, Palle; Pedersen, Tom Søndergård; Nielsen, Kirsten Mølgaard
2015-01-01
In this paper reactive control and Model Predictive Control (MPC) for a Wave Energy Converter (WEC) are compared. The analysis is based on a WEC from Wave Star A/S designed as a point absorber. The model predictive controller uses wave models based on the dominating sea states combined with a model...... connecting undisturbed wave sequences to sequences of torque. Losses in the conversion from mechanical to electrical power are taken into account in two ways. Conventional reactive controllers are tuned for each sea state with the assumption that the converter has the same efficiency back and forth. MPC...
Time dependent patient no-show predictive modelling development.
Huang, Yu-Li; Hanauer, David A
2016-05-09
Purpose - The purpose of this paper is to develop evident-based predictive no-show models considering patients' each past appointment status, a time-dependent component, as an independent predictor to improve predictability. Design/methodology/approach - A ten-year retrospective data set was extracted from a pediatric clinic. It consisted of 7,291 distinct patients who had at least two visits along with their appointment characteristics, patient demographics, and insurance information. Logistic regression was adopted to develop no-show models using two-thirds of the data for training and the remaining data for validation. The no-show threshold was then determined based on minimizing the misclassification of show/no-show assignments. There were a total of 26 predictive model developed based on the number of available past appointments. Simulation was employed to test the effective of each model on costs of patient wait time, physician idle time, and overtime. Findings - The results demonstrated the misclassification rate and the area under the curve of the receiver operating characteristic gradually improved as more appointment history was included until around the 20th predictive model. The overbooking method with no-show predictive models suggested incorporating up to the 16th model and outperformed other overbooking methods by as much as 9.4 per cent in the cost per patient while allowing two additional patients in a clinic day. Research limitations/implications - The challenge now is to actually implement the no-show predictive model systematically to further demonstrate its robustness and simplicity in various scheduling systems. Originality/value - This paper provides examples of how to build the no-show predictive models with time-dependent components to improve the overbooking policy. Accurately identifying scheduled patients' show/no-show status allows clinics to proactively schedule patients to reduce the negative impact of patient no-shows.
Preprocedural Prediction Model for Contrast-Induced Nephropathy Patients.
Yin, Wen-Jun; Yi, Yi-Hu; Guan, Xiao-Feng; Zhou, Ling-Yun; Wang, Jiang-Lin; Li, Dai-Yang; Zuo, Xiao-Cong
2017-02-03
Several models have been developed for prediction of contrast-induced nephropathy (CIN); however, they only contain patients receiving intra-arterial contrast media for coronary angiographic procedures, which represent a small proportion of all contrast procedures. In addition, most of them evaluate radiological interventional procedure-related variables. So it is necessary for us to develop a model for prediction of CIN before radiological procedures among patients administered contrast media. A total of 8800 patients undergoing contrast administration were randomly assigned in a 4:1 ratio to development and validation data sets. CIN was defined as an increase of 25% and/or 0.5 mg/dL in serum creatinine within 72 hours above the baseline value. Preprocedural clinical variables were used to develop the prediction model from the training data set by the machine learning method of random forest, and 5-fold cross-validation was used to evaluate the prediction accuracies of the model. Finally we tested this model in the validation data set. The incidence of CIN was 13.38%. We built a prediction model with 13 preprocedural variables selected from 83 variables. The model obtained an area under the receiver-operating characteristic (ROC) curve (AUC) of 0.907 and gave prediction accuracy of 80.8%, sensitivity of 82.7%, specificity of 78.8%, and Matthews correlation coefficient of 61.5%. For the first time, 3 new factors are included in the model: the decreased sodium concentration, the INR value, and the preprocedural glucose level. The newly established model shows excellent predictive ability of CIN development and thereby provides preventative measures for CIN. © 2017 The Authors. Published on behalf of the American Heart Association, Inc., by Wiley Blackwell.
Numerical modeling capabilities to predict repository performance
International Nuclear Information System (INIS)
1979-09-01
This report presents a summary of current numerical modeling capabilities that are applicable to the design and performance evaluation of underground repositories for the storage of nuclear waste. The report includes codes that are available in-house, within Golder Associates and Lawrence Livermore Laboratories; as well as those that are generally available within the industry and universities. The first listing of programs are in-house codes in the subject areas of hydrology, solute transport, thermal and mechanical stress analysis, and structural geology. The second listing of programs are divided by subject into the following categories: site selection, structural geology, mine structural design, mine ventilation, hydrology, and mine design/construction/operation. These programs are not specifically designed for use in the design and evaluation of an underground repository for nuclear waste; but several or most of them may be so used
Model output statistics applied to wind power prediction
Energy Technology Data Exchange (ETDEWEB)
Joensen, A; Giebel, G; Landberg, L [Risoe National Lab., Roskilde (Denmark); Madsen, H; Nielsen, H A [The Technical Univ. of Denmark, Dept. of Mathematical Modelling, Lyngby (Denmark)
1999-03-01
Being able to predict the output of a wind farm online for a day or two in advance has significant advantages for utilities, such as better possibility to schedule fossil fuelled power plants and a better position on electricity spot markets. In this paper prediction methods based on Numerical Weather Prediction (NWP) models are considered. The spatial resolution used in NWP models implies that these predictions are not valid locally at a specific wind farm. Furthermore, due to the non-stationary nature and complexity of the processes in the atmosphere, and occasional changes of NWP models, the deviation between the predicted and the measured wind will be time dependent. If observational data is available, and if the deviation between the predictions and the observations exhibits systematic behavior, this should be corrected for; if statistical methods are used, this approaches is usually referred to as MOS (Model Output Statistics). The influence of atmospheric turbulence intensity, topography, prediction horizon length and auto-correlation of wind speed and power is considered, and to take the time-variations into account, adaptive estimation methods are applied. Three estimation techniques are considered and compared, Extended Kalman Filtering, recursive least squares and a new modified recursive least squares algorithm. (au) EU-JOULE-3. 11 refs.
Predictive modeling of neuroanatomic structures for brain atrophy detection
Hu, Xintao; Guo, Lei; Nie, Jingxin; Li, Kaiming; Liu, Tianming
2010-03-01
In this paper, we present an approach of predictive modeling of neuroanatomic structures for the detection of brain atrophy based on cross-sectional MRI image. The underlying premise of applying predictive modeling for atrophy detection is that brain atrophy is defined as significant deviation of part of the anatomy from what the remaining normal anatomy predicts for that part. The steps of predictive modeling are as follows. The central cortical surface under consideration is reconstructed from brain tissue map and Regions of Interests (ROI) on it are predicted from other reliable anatomies. The vertex pair-wise distance between the predicted vertex and the true one within the abnormal region is expected to be larger than that of the vertex in normal brain region. Change of white matter/gray matter ratio within a spherical region is used to identify the direction of vertex displacement. In this way, the severity of brain atrophy can be defined quantitatively by the displacements of those vertices. The proposed predictive modeling method has been evaluated by using both simulated atrophies and MRI images of Alzheimer's disease.
Outcome Prediction in Mathematical Models of Immune Response to Infection.
Directory of Open Access Journals (Sweden)
Manuel Mai
Full Text Available Clinicians need to predict patient outcomes with high accuracy as early as possible after disease inception. In this manuscript, we show that patient-to-patient variability sets a fundamental limit on outcome prediction accuracy for a general class of mathematical models for the immune response to infection. However, accuracy can be increased at the expense of delayed prognosis. We investigate several systems of ordinary differential equations (ODEs that model the host immune response to a pathogen load. Advantages of systems of ODEs for investigating the immune response to infection include the ability to collect data on large numbers of 'virtual patients', each with a given set of model parameters, and obtain many time points during the course of the infection. We implement patient-to-patient variability v in the ODE models by randomly selecting the model parameters from distributions with coefficients of variation v that are centered on physiological values. We use logistic regression with one-versus-all classification to predict the discrete steady-state outcomes of the system. We find that the prediction algorithm achieves near 100% accuracy for v = 0, and the accuracy decreases with increasing v for all ODE models studied. The fact that multiple steady-state outcomes can be obtained for a given initial condition, i.e. the basins of attraction overlap in the space of initial conditions, limits the prediction accuracy for v > 0. Increasing the elapsed time of the variables used to train and test the classifier, increases the prediction accuracy, while adding explicit external noise to the ODE models decreases the prediction accuracy. Our results quantify the competition between early prognosis and high prediction accuracy that is frequently encountered by clinicians.
Evaluation of burst pressure prediction models for line pipes
International Nuclear Information System (INIS)
Zhu, Xian-Kui; Leis, Brian N.
2012-01-01
Accurate prediction of burst pressure plays a central role in engineering design and integrity assessment of oil and gas pipelines. Theoretical and empirical solutions for such prediction are evaluated in this paper relative to a burst pressure database comprising more than 100 tests covering a variety of pipeline steel grades and pipe sizes. Solutions considered include three based on plasticity theory for the end-capped, thin-walled, defect-free line pipe subjected to internal pressure in terms of the Tresca, von Mises, and ZL (or Zhu-Leis) criteria, one based on a cylindrical instability stress (CIS) concept, and a large group of analytical and empirical models previously evaluated by Law and Bowie (International Journal of Pressure Vessels and Piping, 84, 2007: 487–492). It is found that these models can be categorized into either a Tresca-family or a von Mises-family of solutions, except for those due to Margetson and Zhu-Leis models. The viability of predictions is measured via statistical analyses in terms of a mean error and its standard deviation. Consistent with an independent parallel evaluation using another large database, the Zhu-Leis solution is found best for predicting burst pressure, including consideration of strain hardening effects, while the Tresca strength solutions including Barlow, Maximum shear stress, Turner, and the ASME boiler code provide reasonably good predictions for the class of line-pipe steels with intermediate strain hardening response. - Highlights: ► This paper evaluates different burst pressure prediction models for line pipes. ► The existing models are categorized into two major groups of Tresca and von Mises solutions. ► Prediction quality of each model is assessed statistically using a large full-scale burst test database. ► The Zhu-Leis solution is identified as the best predictive model.
Evaluation of burst pressure prediction models for line pipes
Energy Technology Data Exchange (ETDEWEB)
Zhu, Xian-Kui, E-mail: zhux@battelle.org [Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43201 (United States); Leis, Brian N. [Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43201 (United States)
2012-01-15
Accurate prediction of burst pressure plays a central role in engineering design and integrity assessment of oil and gas pipelines. Theoretical and empirical solutions for such prediction are evaluated in this paper relative to a burst pressure database comprising more than 100 tests covering a variety of pipeline steel grades and pipe sizes. Solutions considered include three based on plasticity theory for the end-capped, thin-walled, defect-free line pipe subjected to internal pressure in terms of the Tresca, von Mises, and ZL (or Zhu-Leis) criteria, one based on a cylindrical instability stress (CIS) concept, and a large group of analytical and empirical models previously evaluated by Law and Bowie (International Journal of Pressure Vessels and Piping, 84, 2007: 487-492). It is found that these models can be categorized into either a Tresca-family or a von Mises-family of solutions, except for those due to Margetson and Zhu-Leis models. The viability of predictions is measured via statistical analyses in terms of a mean error and its standard deviation. Consistent with an independent parallel evaluation using another large database, the Zhu-Leis solution is found best for predicting burst pressure, including consideration of strain hardening effects, while the Tresca strength solutions including Barlow, Maximum shear stress, Turner, and the ASME boiler code provide reasonably good predictions for the class of line-pipe steels with intermediate strain hardening response. - Highlights: Black-Right-Pointing-Pointer This paper evaluates different burst pressure prediction models for line pipes. Black-Right-Pointing-Pointer The existing models are categorized into two major groups of Tresca and von Mises solutions. Black-Right-Pointing-Pointer Prediction quality of each model is assessed statistically using a large full-scale burst test database. Black-Right-Pointing-Pointer The Zhu-Leis solution is identified as the best predictive model.
Survival prediction model for postoperative hepatocellular carcinoma patients.
Ren, Zhihui; He, Shasha; Fan, Xiaotang; He, Fangping; Sang, Wei; Bao, Yongxing; Ren, Weixin; Zhao, Jinming; Ji, Xuewen; Wen, Hao
2017-09-01
This study is to establish a predictive index (PI) model of 5-year survival rate for patients with hepatocellular carcinoma (HCC) after radical resection and to evaluate its prediction sensitivity, specificity, and accuracy.Patients underwent HCC surgical resection were enrolled and randomly divided into prediction model group (101 patients) and model evaluation group (100 patients). Cox regression model was used for univariate and multivariate survival analysis. A PI model was established based on multivariate analysis and receiver operating characteristic (ROC) curve was drawn accordingly. The area under ROC (AUROC) and PI cutoff value was identified.Multiple Cox regression analysis of prediction model group showed that neutrophil to lymphocyte ratio, histological grade, microvascular invasion, positive resection margin, number of tumor, and postoperative transcatheter arterial chemoembolization treatment were the independent predictors for the 5-year survival rate for HCC patients. The model was PI = 0.377 × NLR + 0.554 × HG + 0.927 × PRM + 0.778 × MVI + 0.740 × NT - 0.831 × transcatheter arterial chemoembolization (TACE). In the prediction model group, AUROC was 0.832 and the PI cutoff value was 3.38. The sensitivity, specificity, and accuracy were 78.0%, 80%, and 79.2%, respectively. In model evaluation group, AUROC was 0.822, and the PI cutoff value was well corresponded to the prediction model group with sensitivity, specificity, and accuracy of 85.0%, 83.3%, and 84.0%, respectively.The PI model can quantify the mortality risk of hepatitis B related HCC with high sensitivity, specificity, and accuracy.
A prediction model for assessing residential radon concentration in Switzerland
International Nuclear Information System (INIS)
Hauri, Dimitri D.; Huss, Anke; Zimmermann, Frank; Kuehni, Claudia E.; Röösli, Martin
2012-01-01
Indoor radon is regularly measured in Switzerland. However, a nationwide model to predict residential radon levels has not been developed. The aim of this study was to develop a prediction model to assess indoor radon concentrations in Switzerland. The model was based on 44,631 measurements from the nationwide Swiss radon database collected between 1994 and 2004. Of these, 80% randomly selected measurements were used for model development and the remaining 20% for an independent model validation. A multivariable log-linear regression model was fitted and relevant predictors selected according to evidence from the literature, the adjusted R², the Akaike's information criterion (AIC), and the Bayesian information criterion (BIC). The prediction model was evaluated by calculating Spearman rank correlation between measured and predicted values. Additionally, the predicted values were categorised into three categories (50th, 50th–90th and 90th percentile) and compared with measured categories using a weighted Kappa statistic. The most relevant predictors for indoor radon levels were tectonic units and year of construction of the building, followed by soil texture, degree of urbanisation, floor of the building where the measurement was taken and housing type (P-values <0.001 for all). Mean predicted radon values (geometric mean) were 66 Bq/m³ (interquartile range 40–111 Bq/m³) in the lowest exposure category, 126 Bq/m³ (69–215 Bq/m³) in the medium category, and 219 Bq/m³ (108–427 Bq/m³) in the highest category. Spearman correlation between predictions and measurements was 0.45 (95%-CI: 0.44; 0.46) for the development dataset and 0.44 (95%-CI: 0.42; 0.46) for the validation dataset. Kappa coefficients were 0.31 for the development and 0.30 for the validation dataset, respectively. The model explained 20% overall variability (adjusted R²). In conclusion, this residential radon prediction model, based on a large number of measurements, was demonstrated to be
Comparison of Linear Prediction Models for Audio Signals
Directory of Open Access Journals (Sweden)
2009-03-01
Full Text Available While linear prediction (LP has become immensely popular in speech modeling, it does not seem to provide a good approach for modeling audio signals. This is somewhat surprising, since a tonal signal consisting of a number of sinusoids can be perfectly predicted based on an (all-pole LP model with a model order that is twice the number of sinusoids. We provide an explanation why this result cannot simply be extrapolated to LP of audio signals. If noise is taken into account in the tonal signal model, a low-order all-pole model appears to be only appropriate when the tonal components are uniformly distributed in the Nyquist interval. Based on this observation, different alternatives to the conventional LP model can be suggested. Either the model should be changed to a pole-zero, a high-order all-pole, or a pitch prediction model, or the conventional LP model should be preceded by an appropriate frequency transform, such as a frequency warping or downsampling. By comparing these alternative LP models to the conventional LP model in terms of frequency estimation accuracy, residual spectral flatness, and perceptual frequency resolution, we obtain several new and promising approaches to LP-based audio modeling.
State-space prediction model for chaotic time series
Alparslan, A. K.; Sayar, M.; Atilgan, A. R.
1998-08-01
A simple method for predicting the continuation of scalar chaotic time series ahead in time is proposed. The false nearest neighbors technique in connection with the time-delayed embedding is employed so as to reconstruct the state space. A local forecasting model based upon the time evolution of the topological neighboring in the reconstructed phase space is suggested. A moving root-mean-square error is utilized in order to monitor the error along the prediction horizon. The model is tested for the convection amplitude of the Lorenz model. The results indicate that for approximately 100 cycles of the training data, the prediction follows the actual continuation very closely about six cycles. The proposed model, like other state-space forecasting models, captures the long-term behavior of the system due to the use of spatial neighbors in the state space.
Predicting artificailly drained areas by means of selective model ensemble
DEFF Research Database (Denmark)
Møller, Anders Bjørn; Beucher, Amélie; Iversen, Bo Vangsø
. The approaches employed include decision trees, discriminant analysis, regression models, neural networks and support vector machines amongst others. Several models are trained with each method, using variously the original soil covariates and principal components of the covariates. With a large ensemble...... out since the mid-19th century, and it has been estimated that half of the cultivated area is artificially drained (Olesen, 2009). A number of machine learning approaches can be used to predict artificially drained areas in geographic space. However, instead of choosing the most accurate model....... The study aims firstly to train a large number of models to predict the extent of artificially drained areas using various machine learning approaches. Secondly, the study will develop a method for selecting the models, which give a good prediction of artificially drained areas, when used in conjunction...
An intermittency model for predicting roughness induced transition
Ge, Xuan; Durbin, Paul
2014-11-01
An extended model for roughness-induced transition is proposed based on an intermittency transport equation for RANS modeling formulated in local variables. To predict roughness effects in the fully turbulent boundary layer, published boundary conditions for k and ω are used, which depend on the equivalent sand grain roughness height, and account for the effective displacement of wall distance origin. Similarly in our approach, wall distance in the transition model for smooth surfaces is modified by an effective origin, which depends on roughness. Flat plate test cases are computed to show that the proposed model is able to predict the transition onset in agreement with a data correlation of transition location versus roughness height, Reynolds number, and inlet turbulence intensity. Experimental data for a turbine cascade are compared with the predicted results to validate the applicability of the proposed model. Supported by NSF Award Number 1228195.
Driver's mental workload prediction model based on physiological indices.
Yan, Shengyuan; Tran, Cong Chi; Wei, Yingying; Habiyaremye, Jean Luc
2017-09-15
Developing an early warning model to predict the driver's mental workload (MWL) is critical and helpful, especially for new or less experienced drivers. The present study aims to investigate the correlation between new drivers' MWL and their work performance, regarding the number of errors. Additionally, the group method of data handling is used to establish the driver's MWL predictive model based on subjective rating (NASA task load index [NASA-TLX]) and six physiological indices. The results indicate that the NASA-TLX and the number of errors are positively correlated, and the predictive model shows the validity of the proposed model with an R 2 value of 0.745. The proposed model is expected to provide a reference value for the new drivers of their MWL by providing the physiological indices, and the driving lesson plans can be proposed to sustain an appropriate MWL as well as improve the driver's work performance.
Modeling, Prediction, and Control of Heating Temperature for Tube Billet
Directory of Open Access Journals (Sweden)
Yachun Mao
2015-01-01
Full Text Available Annular furnaces have multivariate, nonlinear, large time lag, and cross coupling characteristics. The prediction and control of the exit temperature of a tube billet are important but difficult. We establish a prediction model for the final temperature of a tube billet through OS-ELM-DRPLS method. We address the complex production characteristics, integrate the advantages of PLS and ELM algorithms in establishing linear and nonlinear models, and consider model update and data lag. Based on the proposed model, we design a prediction control algorithm for tube billet temperature. The algorithm is validated using the practical production data of Baosteel Co., Ltd. Results show that the model achieves the precision required in industrial applications. The temperature of the tube billet can be controlled within the required temperature range through compensation control method.
A model for predicting lung cancer response to therapy
International Nuclear Information System (INIS)
Seibert, Rebecca M.; Ramsey, Chester R.; Hines, J. Wesley; Kupelian, Patrick A.; Langen, Katja M.; Meeks, Sanford L.; Scaperoth, Daniel D.
2007-01-01
Purpose: Volumetric computed tomography (CT) images acquired by image-guided radiation therapy (IGRT) systems can be used to measure tumor response over the course of treatment. Predictive adaptive therapy is a novel treatment technique that uses volumetric IGRT data to actively predict the future tumor response to therapy during the first few weeks of IGRT treatment. The goal of this study was to develop and test a model for predicting lung tumor response during IGRT treatment using serial megavoltage CT (MVCT). Methods and Materials: Tumor responses were measured for 20 lung cancer lesions in 17 patients that were imaged and treated with helical tomotherapy with doses ranging from 2.0 to 2.5 Gy per fraction. Five patients were treated with concurrent chemotherapy, and 1 patient was treated with neoadjuvant chemotherapy. Tumor response to treatment was retrospectively measured by contouring 480 serial MVCT images acquired before treatment. A nonparametric, memory-based locally weight regression (LWR) model was developed for predicting tumor response using the retrospective tumor response data. This model predicts future tumor volumes and the associated confidence intervals based on limited observations during the first 2 weeks of treatment. The predictive accuracy of the model was tested using a leave-one-out cross-validation technique with the measured tumor responses. Results: The predictive algorithm was used to compare predicted verse-measured tumor volume response for all 20 lesions. The average error for the predictions of the final tumor volume was 12%, with the true volumes always bounded by the 95% confidence interval. The greatest model uncertainty occurred near the middle of the course of treatment, in which the tumor response relationships were more complex, the model has less information, and the predictors were more varied. The optimal days for measuring the tumor response on the MVCT images were on elapsed Days 1, 2, 5, 9, 11, 12, 17, and 18 during
Updated climatological model predictions of ionospheric and HF propagation parameters
International Nuclear Information System (INIS)
Reilly, M.H.; Rhoads, F.J.; Goodman, J.M.; Singh, M.
1991-01-01
The prediction performances of several climatological models, including the ionospheric conductivity and electron density model, RADAR C, and Ionospheric Communications Analysis and Predictions Program, are evaluated for different regions and sunspot number inputs. Particular attention is given to the near-real-time (NRT) predictions associated with single-station updates. It is shown that a dramatic improvement can be obtained by using single-station ionospheric data to update the driving parameters for an ionospheric model for NRT predictions of f(0)F2 and other ionospheric and HF circuit parameters. For middle latitudes, the improvement extends out thousands of kilometers from the update point to points of comparable corrected geomagnetic latitude. 10 refs
Modelling earth current precursors in earthquake prediction
Directory of Open Access Journals (Sweden)
R. Di Maio
1997-06-01
Full Text Available This paper deals with the theory of earth current precursors of earthquake. A dilatancy-diffusion-polarization model is proposed to explain the anomalies of the electric potential, which are observed on the ground surface prior to some earthquakes. The electric polarization is believed to be the electrokinetic effect due to the invasion of fluids into new pores, which are opened inside a stressed-dilated rock body. The time and space variation of the distribution of the electric potential in a layered earth as well as in a faulted half-space is studied in detail. It results that the surface response depends on the underground conductivity distribution and on the relative disposition of the measuring dipole with respect to the buried bipole source. A field procedure based on the use of an areal layout of the recording sites is proposed, in order to obtain the most complete information on the time and space evolution of the precursory phenomena in any given seismic region.
Predictive modeling of coupled multi-physics systems: I. Theory
International Nuclear Information System (INIS)
Cacuci, Dan Gabriel
2014-01-01
Highlights: • We developed “predictive modeling of coupled multi-physics systems (PMCMPS)”. • PMCMPS reduces predicted uncertainties in predicted model responses and parameters. • PMCMPS treats efficiently very large coupled systems. - Abstract: This work presents an innovative mathematical methodology for “predictive modeling of coupled multi-physics systems (PMCMPS).” This methodology takes into account fully the coupling terms between the systems but requires only the computational resources that would be needed to perform predictive modeling on each system separately. The PMCMPS methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution based on a priori known mean values and uncertainties characterizing the parameters and responses for both multi-physics models. This “maximum entropy”-approximate a priori distribution is combined, using Bayes’ theorem, with the “likelihood” provided by the multi-physics simulation models. Subsequently, the posterior distribution thus obtained is evaluated using the saddle-point method to obtain analytical expressions for the optimally predicted values for the multi-physics models parameters and responses along with corresponding reduced uncertainties. Noteworthy, the predictive modeling methodology for the coupled systems is constructed such that the systems can be considered sequentially rather than simultaneously, while preserving exactly the same results as if the systems were treated simultaneously. Consequently, very large coupled systems, which could perhaps exceed available computational resources if treated simultaneously, can be treated with the PMCMPS methodology presented in this work sequentially and without any loss of generality or information, requiring just the resources that would be needed if the systems were treated sequentially
Embryo quality predictive models based on cumulus cells gene expression
Directory of Open Access Journals (Sweden)
Devjak R
2016-06-01
Full Text Available Since the introduction of in vitro fertilization (IVF in clinical practice of infertility treatment, the indicators for high quality embryos were investigated. Cumulus cells (CC have a specific gene expression profile according to the developmental potential of the oocyte they are surrounding, and therefore, specific gene expression could be used as a biomarker. The aim of our study was to combine more than one biomarker to observe improvement in prediction value of embryo development. In this study, 58 CC samples from 17 IVF patients were analyzed. This study was approved by the Republic of Slovenia National Medical Ethics Committee. Gene expression analysis [quantitative real time polymerase chain reaction (qPCR] for five genes, analyzed according to embryo quality level, was performed. Two prediction models were tested for embryo quality prediction: a binary logistic and a decision tree model. As the main outcome, gene expression levels for five genes were taken and the area under the curve (AUC for two prediction models were calculated. Among tested genes, AMHR2 and LIF showed significant expression difference between high quality and low quality embryos. These two genes were used for the construction of two prediction models: the binary logistic model yielded an AUC of 0.72 ± 0.08 and the decision tree model yielded an AUC of 0.73 ± 0.03. Two different prediction models yielded similar predictive power to differentiate high and low quality embryos. In terms of eventual clinical decision making, the decision tree model resulted in easy-to-interpret rules that are highly applicable in clinical practice.
Comparison of Predictive Modeling Methods of Aircraft Landing Speed
Diallo, Ousmane H.
2012-01-01
Expected increases in air traffic demand have stimulated the development of air traffic control tools intended to assist the air traffic controller in accurately and precisely spacing aircraft landing at congested airports. Such tools will require an accurate landing-speed prediction to increase throughput while decreasing necessary controller interventions for avoiding separation violations. There are many practical challenges to developing an accurate landing-speed model that has acceptable prediction errors. This paper discusses the development of a near-term implementation, using readily available information, to estimate/model final approach speed from the top of the descent phase of flight to the landing runway. As a first approach, all variables found to contribute directly to the landing-speed prediction model are used to build a multi-regression technique of the response surface equation (RSE). Data obtained from operations of a major airlines for a passenger transport aircraft type to the Dallas/Fort Worth International Airport are used to predict the landing speed. The approach was promising because it decreased the standard deviation of the landing-speed error prediction by at least 18% from the standard deviation of the baseline error, depending on the gust condition at the airport. However, when the number of variables is reduced to the most likely obtainable at other major airports, the RSE model shows little improvement over the existing methods. Consequently, a neural network that relies on a nonlinear regression technique is utilized as an alternative modeling approach. For the reduced number of variables cases, the standard deviation of the neural network models errors represent over 5% reduction compared to the RSE model errors, and at least 10% reduction over the baseline predicted landing-speed error standard deviation. Overall, the constructed models predict the landing-speed more accurately and precisely than the current state-of-the-art.
Huang, Yanqi; He, Lan; Dong, Di; Yang, Caiyun; Liang, Cuishan; Chen, Xin; Ma, Zelan; Huang, Xiaomei; Yao, Su; Liang, Changhong; Tian, Jie; Liu, Zaiyi
2018-02-01
To develop and validate a radiomics prediction model for individualized prediction of perineural invasion (PNI) in colorectal cancer (CRC). After computed tomography (CT) radiomics features extraction, a radiomics signature was constructed in derivation cohort (346 CRC patients). A prediction model was developed to integrate the radiomics signature and clinical candidate predictors [age, sex, tumor location, and carcinoembryonic antigen (CEA) level]. Apparent prediction performance was assessed. After internal validation, independent temporal validation (separate from the cohort used to build the model) was then conducted in 217 CRC patients. The final model was converted to an easy-to-use nomogram. The developed radiomics nomogram that integrated the radiomics signature and CEA level showed good calibration and discrimination performance [Harrell's concordance index (c-index): 0.817; 95% confidence interval (95% CI): 0.811-0.823]. Application of the nomogram in validation cohort gave a comparable calibration and discrimination (c-index: 0.803; 95% CI: 0.794-0.812). Integrating the radiomics signature and CEA level into a radiomics prediction model enables easy and effective risk assessment of PNI in CRC. This stratification of patients according to their PNI status may provide a basis for individualized auxiliary treatment.
Longitudinal modeling to predict vital capacity in amyotrophic lateral sclerosis.
Jahandideh, Samad; Taylor, Albert A; Beaulieu, Danielle; Keymer, Mike; Meng, Lisa; Bian, Amy; Atassi, Nazem; Andrews, Jinsy; Ennist, David L
2018-05-01
Death in amyotrophic lateral sclerosis (ALS) patients is related to respiratory failure, which is assessed in clinical settings by measuring vital capacity. We developed ALS-VC, a modeling tool for longitudinal prediction of vital capacity in ALS patients. A gradient boosting machine (GBM) model was trained using the PRO-ACT (Pooled Resource Open-access ALS Clinical Trials) database of over 10,000 ALS patient records. We hypothesized that a reliable vital capacity predictive model could be developed using PRO-ACT. The model was used to compare FVC predictions with a 30-day run-in period to predictions made from just baseline. The internal root mean square deviations (RMSD) of the run-in and baseline models were 0.534 and 0.539, respectively, across the 7L FVC range captured in PRO-ACT. The RMSDs of the run-in and baseline models using an unrelated, contemporary external validation dataset (0.553 and 0.538, respectively) were comparable to the internal validation. The model was shown to have similar accuracy for predicting SVC (RMSD = 0.562). The most important features for both run-in and baseline models were "Baseline forced vital capacity" and "Days since baseline." We developed ALS-VC, a GBM model trained with the PRO-ACT ALS dataset that provides vital capacity predictions generalizable to external datasets. The ALS-VC model could be helpful in advising and counseling patients, and, in clinical trials, it could be used to generate virtual control arms against which observed outcomes could be compared, or used to stratify patients into slowly, average, and rapidly progressing subgroups.
Prediction error, ketamine and psychosis: An updated model.
Corlett, Philip R; Honey, Garry D; Fletcher, Paul C
2016-11-01
In 2007, we proposed an explanation of delusion formation as aberrant prediction error-driven associative learning. Further, we argued that the NMDA receptor antagonist ketamine provided a good model for this process. Subsequently, we validated the model in patients with psychosis, relating aberrant prediction error signals to delusion severity. During the ensuing period, we have developed these ideas, drawing on the simple principle that brains build a model of the world and refine it by minimising prediction errors, as well as using it to guide perceptual inferences. While previously we focused on the prediction error signal per se, an updated view takes into account its precision, as well as the precision of prior expectations. With this expanded perspective, we see several possible routes to psychotic symptoms - which may explain the heterogeneity of psychotic illness, as well as the fact that other drugs, with different pharmacological actions, can produce psychotomimetic effects. In this article, we review the basic principles of this model and highlight specific ways in which prediction errors can be perturbed, in particular considering the reliability and uncertainty of predictions. The expanded model explains hallucinations as perturbations of the uncertainty mediated balance between expectation and prediction error. Here, expectations dominate and create perceptions by suppressing or ignoring actual inputs. Negative symptoms may arise due to poor reliability of predictions in service of action. By mapping from biology to belief and perception, the account proffers new explanations of psychosis. However, challenges remain. We attempt to address some of these concerns and suggest future directions, incorporating other symptoms into the model, building towards better understanding of psychosis. © The Author(s) 2016.
Predicting soil acidification trends at Plynlimon using the SAFE model
Directory of Open Access Journals (Sweden)
B. Reynolds
1997-01-01
Full Text Available The SAFE model has been applied to an acid grassland site, located on base-poor stagnopodzol soils derived from Lower Palaeozoic greywackes. The model predicts that acidification of the soil has occurred in response to increased acid deposition following the industrial revolution. Limited recovery is predicted following the decline in sulphur deposition during the mid to late 1970s. Reducing excess sulphur and NOx deposition in 1998 to 40% and 70% of 1980 levels results in further recovery but soil chemical conditions (base saturation, soil water pH and ANC do not return to values predicted in pre-industrial times. The SAFE model predicts that critical loads (expressed in terms of the (Ca+Mg+K:Alcrit ratio for six vegetation species found in acid grassland communities are not exceeded despite the increase in deposited acidity following the industrial revolution. The relative growth response of selected vegetation species characteristic of acid grassland swards has been predicted using a damage function linking growth to soil solution base cation to aluminium ratio. The results show that very small growth reductions can be expected for 'acid tolerant' plants growing in acid upland soils. For more sensitive species such as Holcus lanatus, SAFE predicts that growth would have been reduced by about 20% between 1951 and 1983, when acid inputs were greatest. Recovery to c. 90% of normal growth (under laboratory conditions is predicted as acidic inputs decline.
A deep auto-encoder model for gene expression prediction.
Xie, Rui; Wen, Jia; Quitadamo, Andrew; Cheng, Jianlin; Shi, Xinghua
2017-11-17
Gene expression is a key intermediate level that genotypes lead to a particular trait. Gene expression is affected by various factors including genotypes of genetic variants. With an aim of delineating the genetic impact on gene expression, we build a deep auto-encoder model to assess how good genetic variants will contribute to gene expression changes. This new deep learning model is a regression-based predictive model based on the MultiLayer Perceptron and Stacked Denoising Auto-encoder (MLP-SAE). The model is trained using a stacked denoising auto-encoder for feature selection and a multilayer perceptron framework for backpropagation. We further improve the model by introducing dropout to prevent overfitting and improve performance. To demonstrate the usage of this model, we apply MLP-SAE to a real genomic datasets with genotypes and gene expression profiles measured in yeast. Our results show that the MLP-SAE model with dropout outperforms other models including Lasso, Random Forests and the MLP-SAE model without dropout. Using the MLP-SAE model with dropout, we show that gene expression quantifications predicted by the model solely based on genotypes, align well with true gene expression patterns. We provide a deep auto-encoder model for predicting gene expression from SNP genotypes. This study demonstrates that deep learning is appropriate for tackling another genomic problem, i.e., building predictive models to understand genotypes' contribution to gene expression. With the emerging availability of richer genomic data, we anticipate that deep learning models play a bigger role in modeling and interpreting genomics.
Predictive modeling of coral disease distribution within a reef system.
Directory of Open Access Journals (Sweden)
Gareth J Williams
2010-02-01
Full Text Available Diseases often display complex and distinct associations with their environment due to differences in etiology, modes of transmission between hosts, and the shifting balance between pathogen virulence and host resistance. Statistical modeling has been underutilized in coral disease research to explore the spatial patterns that result from this triad of interactions. We tested the hypotheses that: 1 coral diseases show distinct associations with multiple environmental factors, 2 incorporating interactions (synergistic collinearities among environmental variables is important when predicting coral disease spatial patterns, and 3 modeling overall coral disease prevalence (the prevalence of multiple diseases as a single proportion value will increase predictive error relative to modeling the same diseases independently. Four coral diseases: Porites growth anomalies (PorGA, Porites tissue loss (PorTL, Porites trematodiasis (PorTrem, and Montipora white syndrome (MWS, and their interactions with 17 predictor variables were modeled using boosted regression trees (BRT within a reef system in Hawaii. Each disease showed distinct associations with the predictors. Environmental predictors showing the strongest overall associations with the coral diseases were both biotic and abiotic. PorGA was optimally predicted by a negative association with turbidity, PorTL and MWS by declines in butterflyfish and juvenile parrotfish abundance respectively, and PorTrem by a modal relationship with Porites host cover. Incorporating interactions among predictor variables contributed to the predictive power of our models, particularly for PorTrem. Combining diseases (using overall disease prevalence as the model response, led to an average six-fold increase in cross-validation predictive deviance over modeling the diseases individually. We therefore recommend coral diseases to be modeled separately, unless known to have etiologies that respond in a similar manner to
Plant water potential improves prediction of empirical stomatal models.
Directory of Open Access Journals (Sweden)
William R L Anderegg
Full Text Available Climate change is expected to lead to increases in drought frequency and severity, with deleterious effects on many ecosystems. Stomatal responses to changing environmental conditions form the backbone of all ecosystem models, but are based on empirical relationships and are not well-tested during drought conditions. Here, we use a dataset of 34 woody plant species spanning global forest biomes to examine the effect of leaf water potential on stomatal conductance and test the predictive accuracy of three major stomatal models and a recently proposed model. We find that current leaf-level empirical models have consistent biases of over-prediction of stomatal conductance during dry conditions, particularly at low soil water potentials. Furthermore, the recently proposed stomatal conductance model yields increases in predictive capability compared to current models, and with particular improvement during drought conditions. Our results reveal that including stomatal sensitivity to declining water potential and consequent impairment of plant water transport will improve predictions during drought conditions and show that many biomes contain a diversity of plant stomatal strategies that range from risky to conservative stomatal regulation during water stress. Such improvements in stomatal simulation are greatly needed to help unravel and predict the response of ecosystems to future climate extremes.
Cross-Validation of Aerobic Capacity Prediction Models in Adolescents.
Burns, Ryan Donald; Hannon, James C; Brusseau, Timothy A; Eisenman, Patricia A; Saint-Maurice, Pedro F; Welk, Greg J; Mahar, Matthew T
2015-08-01
Cardiorespiratory endurance is a component of health-related fitness. FITNESSGRAM recommends the Progressive Aerobic Cardiovascular Endurance Run (PACER) or One mile Run/Walk (1MRW) to assess cardiorespiratory endurance by estimating VO2 Peak. No research has cross-validated prediction models from both PACER and 1MRW, including the New PACER Model and PACER-Mile Equivalent (PACER-MEQ) using current standards. The purpose of this study was to cross-validate prediction models from PACER and 1MRW against measured VO2 Peak in adolescents. Cardiorespiratory endurance data were collected on 90 adolescents aged 13-16 years (Mean = 14.7 ± 1.3 years; 32 girls, 52 boys) who completed the PACER and 1MRW in addition to a laboratory maximal treadmill test to measure VO2 Peak. Multiple correlations among various models with measured VO2 Peak were considered moderately strong (R = .74-0.78), and prediction error (RMSE) ranged from 5.95 ml·kg⁻¹,min⁻¹ to 8.27 ml·kg⁻¹.min⁻¹. Criterion-referenced agreement into FITNESSGRAM's Healthy Fitness Zones was considered fair-to-good among models (Kappa = 0.31-0.62; Agreement = 75.5-89.9%; F = 0.08-0.65). In conclusion, prediction models demonstrated moderately strong linear relationships with measured VO2 Peak, fair prediction error, and fair-to-good criterion referenced agreement with measured VO2 Peak into FITNESSGRAM's Healthy Fitness Zones.
Comparison of the models of financial distress prediction
Directory of Open Access Journals (Sweden)
Jiří Omelka
2013-01-01
Full Text Available Prediction of the financial distress is generally supposed as approximation if a business entity is closed on bankruptcy or at least on serious financial problems. Financial distress is defined as such a situation when a company is not able to satisfy its liabilities in any forms, or when its liabilities are higher than its assets. Classification of financial situation of business entities represents a multidisciplinary scientific issue that uses not only the economic theoretical bases but interacts to the statistical, respectively to econometric approaches as well.The first models of financial distress prediction have originated in the sixties of the 20th century. One of the most known is the Altman’s model followed by a range of others which are constructed on more or less conformable bases. In many existing models it is possible to find common elements which could be marked as elementary indicators of potential financial distress of a company. The objective of this article is, based on the comparison of existing models of prediction of financial distress, to define the set of basic indicators of company’s financial distress at conjoined identification of their critical aspects. The sample defined this way will be a background for future research focused on determination of one-dimensional model of financial distress prediction which would subsequently become a basis for construction of multi-dimensional prediction model.
Predictive assessment of models for dynamic functional connectivity
DEFF Research Database (Denmark)
Nielsen, Søren Føns Vind; Schmidt, Mikkel Nørgaard; Madsen, Kristoffer Hougaard
2018-01-01
represent functional brain networks as a meta-stable process with a discrete number of states; however, there is a lack of consensus on how to perform model selection and learn the number of states, as well as a lack of understanding of how different modeling assumptions influence the estimated state......In neuroimaging, it has become evident that models of dynamic functional connectivity (dFC), which characterize how intrinsic brain organization changes over time, can provide a more detailed representation of brain function than traditional static analyses. Many dFC models in the literature...... dynamics. To address these issues, we consider a predictive likelihood approach to model assessment, where models are evaluated based on their predictive performance on held-out test data. Examining several prominent models of dFC (in their probabilistic formulations) we demonstrate our framework...
SHMF: Interest Prediction Model with Social Hub Matrix Factorization
Directory of Open Access Journals (Sweden)
Chaoyuan Cui
2017-01-01
Full Text Available With the development of social networks, microblog has become the major social communication tool. There is a lot of valuable information such as personal preference, public opinion, and marketing in microblog. Consequently, research on user interest prediction in microblog has a positive practical significance. In fact, how to extract information associated with user interest orientation from the constantly updated blog posts is not so easy. Existing prediction approaches based on probabilistic factor analysis use blog posts published by user to predict user interest. However, these methods are not very effective for the users who post less but browse more. In this paper, we propose a new prediction model, which is called SHMF, using social hub matrix factorization. SHMF constructs the interest prediction model by combining the information of blogs posts published by both user and direct neighbors in user’s social hub. Our proposed model predicts user interest by integrating user’s historical behavior and temporal factor as well as user’s friendships, thus achieving accurate forecasts of user’s future interests. The experimental results on Sina Weibo show the efficiency and effectiveness of our proposed model.
Prediction Models and Decision Support: Chances and Challenges
Kappen, T.H.
2015-01-01
A clinical prediction model can assist doctors in arriving at the most likely diagnosis or estimating the prognosis. By utilizing various patient- and disease-related properties, such models can yield objective estimations of the risk of a disease or the probability of a certain disease course for
A model to predict the sound reflection from forests
Wunderli, J.M.; Salomons, E.M.
2009-01-01
A model is presented to predict the reflection of sound at forest edges. A single tree is modelled as a vertical cylinder. For the reflection at a cylinder an analytical solution is given based on the theory of scattering of spherical waves. The entire forest is represented by a line of cylinders
Computationally efficient model predictive control algorithms a neural network approach
Ławryńczuk, Maciej
2014-01-01
This book thoroughly discusses computationally efficient (suboptimal) Model Predictive Control (MPC) techniques based on neural models. The subjects treated include: · A few types of suboptimal MPC algorithms in which a linear approximation of the model or of the predicted trajectory is successively calculated on-line and used for prediction. · Implementation details of the MPC algorithms for feedforward perceptron neural models, neural Hammerstein models, neural Wiener models and state-space neural models. · The MPC algorithms based on neural multi-models (inspired by the idea of predictive control). · The MPC algorithms with neural approximation with no on-line linearization. · The MPC algorithms with guaranteed stability and robustness. · Cooperation between the MPC algorithms and set-point optimization. Thanks to linearization (or neural approximation), the presented suboptimal algorithms do not require d...
Prediction of speech intelligibility based on an auditory preprocessing model
DEFF Research Database (Denmark)
Christiansen, Claus Forup Corlin; Pedersen, Michael Syskind; Dau, Torsten
2010-01-01
in noise experiment was used for training and an ideal binary mask experiment was used for evaluation. All three models were able to capture the trends in the speech in noise training data well, but the proposed model provides a better prediction of the binary mask test data, particularly when the binary...... masks degenerate to a noise vocoder....
Predictive ability of boiler production models | Ogundu | Animal ...
African Journals Online (AJOL)
The weekly body weight measurements of a growing strain of Ross broiler were used to compare the of ability of three mathematical models (the multi, linear, quadratic and Exponential) to predict 8 week body weight from early body measurements at weeks I, II, III, IV, V, VI and VII. The results suggest that the three models ...
Inferential ecosystem models, from network data to prediction
James S. Clark; Pankaj Agarwal; David M. Bell; Paul G. Flikkema; Alan Gelfand; Xuanlong Nguyen; Eric Ward; Jun Yang
2011-01-01
Recent developments suggest that predictive modeling could begin to play a larger role not only for data analysis, but also for data collection. We address the example of efficient wireless sensor networks, where inferential ecosystem models can be used to weigh the value of an observation against the cost of data collection. Transmission costs make observations ââ...
Validation of a multi-objective, predictive urban traffic model
Wilmink, I.R.; Haak, P. van den; Woldeab, Z.; Vreeswijk, J.
2013-01-01
This paper describes the results of the verification and validation of the ecoStrategic Model, which was developed, implemented and tested in the eCoMove project. The model uses real-time and historical traffic information to determine the current, predicted and desired state of traffic in a
Predicting the ungauged basin : Model validation and realism assessment
Van Emmerik, T.H.M.; Mulder, G.; Eilander, D.; Piet, M.; Savenije, H.H.G.
2015-01-01
The hydrological decade on Predictions in Ungauged Basins (PUB) led to many new insights in model development, calibration strategies, data acquisition and uncertainty analysis. Due to a limited amount of published studies on genuinely ungauged basins, model validation and realism assessment of
Modelling and prediction of non-stationary optical turbulence behaviour
Doelman, N.J.; Osborn, J.
2016-01-01
There is a strong need to model the temporal fluctuations in turbulence parameters, for instance for scheduling, simulation and prediction purposes. This paper aims at modelling the dynamic behaviour of the turbulence coherence length r0, utilising measurement data from the Stereo-SCIDAR instrument
A Mathematical Model for the Prediction of Injectivity Decline | Odeh ...
African Journals Online (AJOL)
Injectivity impairment due to invasion of solid suspensions has been studied by several investigators and some modelling approaches have also been reported. Worthy of note is the development of analytical models for internal and external filtration coupled with transition time concept for predicting the overall decline in ...
Mathematical Model for Prediction of Flexural Strength of Mound ...
African Journals Online (AJOL)
The mound soil-cement blended proportions were mathematically optimized by using scheffe's approach and the optimization model developed. A computer program predicting the mix proportion for the model was written. The optimal proportion by the program was used prepare beam samples measuring 150mm x 150mm ...
Predictive Model Equations for Palm Kernel (Elaeis guneensis J ...
African Journals Online (AJOL)
Estimated error of ± 0.18 and ± 0.2 are envisaged while applying the models for predicting palm kernel and sesame oil colours respectively. Keywords: Palm kernel, Sesame, Palm kernel, Oil Colour, Process Parameters, Model. Journal of Applied Science, Engineering and Technology Vol. 6 (1) 2006 pp. 34-38 ...
Predicting the ungauged basin: model validation and realism assessment
van Emmerik, Tim; Mulder, Gert; Eilander, Dirk; Piet, Marijn; Savenije, Hubert
2015-01-01
The hydrological decade on Predictions in Ungauged Basins (PUB) led to many new insights in model development, calibration strategies, data acquisition and uncertainty analysis. Due to a limited amount of published studies on genuinely ungauged basins, model validation and realism assessment of
A theoretical model for predicting neutron fluxes for cyclic Neutron ...
African Journals Online (AJOL)
A theoretical model has been developed for prediction of thermal neutron fluxes required for cyclic irradiations of a sample to obtain the same activity previously used for the detection of any radionuclide of interest. The model is suitable for radiotracer production or for long-lived neutron activation products where the ...
Model Predictive Control for Offset-Free Reference Tracking
Czech Academy of Sciences Publication Activity Database
Belda, Květoslav
2016-01-01
Roč. 5, č. 1 (2016), s. 8-13 ISSN 1805-3386 Institutional support: RVO:67985556 Keywords : offset-free reference tracking * predictive control * ARX model * state-space model * multi-input multi-output system * robotic system * mechatronic system Subject RIV: BC - Control Systems Theory http://library.utia.cas.cz/separaty/2016/AS/belda-0458355.pdf
Modeling the Temporal Nature of Human Behavior for Demographics Prediction
DEFF Research Database (Denmark)
Felbo, Bjarke; Sundsøy, Pål; Pentland, Alex
2017-01-01
Mobile phone metadata is increasingly used for humanitarian purposes in developing countries as traditional data is scarce. Basic demographic information is however often absent from mobile phone datasets, limiting the operational impact of the datasets. For these reasons, there has been a growing...... interest in predicting demographic information from mobile phone metadata. Previous work focused on creating increasingly advanced features to be modeled with standard machine learning algorithms. We here instead model the raw mobile phone metadata directly using deep learning, exploiting the temporal...... on both age and gender prediction using only the temporal modality in mobile metadata. We finally validate our method on low activity users and evaluate the modeling assumptions....
Numerical Modelling and Prediction of Erosion Induced by Hydrodynamic Cavitation
Peters, A.; Lantermann, U.; el Moctar, O.
2015-12-01
The present work aims to predict cavitation erosion using a numerical flow solver together with a new developed erosion model. The erosion model is based on the hypothesis that collapses of single cavitation bubbles near solid boundaries form high velocity microjets, which cause sonic impacts with high pressure amplitudes damaging the surface. The erosion model uses information from a numerical Euler-Euler flow simulation to predict erosion sensitive areas and assess the erosion aggressiveness of the flow. The obtained numerical results were compared to experimental results from tests of an axisymmetric nozzle.
Robust Output Model Predictive Control of an Unstable Rijke Tube
Directory of Open Access Journals (Sweden)
Fabian Jarmolowitz
2012-01-01
Full Text Available This work investigates the active control of an unstable Rijke tube using robust output model predictive control (RMPC. As internal model a polytopic linear system with constraints is assumed to account for uncertainties. For guaranteed stability, a linear state feedback controller is designed using linear matrix inequalities and used within a feedback formulation of the model predictive controller. For state estimation a robust gain-scheduled observer is developed. It is shown that the proposed RMPC ensures robust stability under constraints over the considered operating range.
Bayesian Genomic Prediction with Genotype × Environment Interaction Kernel Models
Cuevas, Jaime; Crossa, José; Montesinos-López, Osval A.; Burgueño, Juan; Pérez-Rodríguez, Paulino; de los Campos, Gustavo
2016-01-01
The phenomenon of genotype × environment (G × E) interaction in plant breeding decreases selection accuracy, thereby negatively affecting genetic gains. Several genomic prediction models incorporating G × E have been recently developed and used in genomic selection of plant breeding programs. Genomic prediction models for assessing multi-environment G × E interaction are extensions of a single-environment model, and have advantages and limitations. In this study, we propose two multi-environment Bayesian genomic models: the first model considers genetic effects (u) that can be assessed by the Kronecker product of variance–covariance matrices of genetic correlations between environments and genomic kernels through markers under two linear kernel methods, linear (genomic best linear unbiased predictors, GBLUP) and Gaussian (Gaussian kernel, GK). The other model has the same genetic component as the first model (u) plus an extra component, f, that captures random effects between environments that were not captured by the random effects u. We used five CIMMYT data sets (one maize and four wheat) that were previously used in different studies. Results show that models with G × E always have superior prediction ability than single-environment models, and the higher prediction ability of multi-environment models with u and f over the multi-environment model with only u occurred 85% of the time with GBLUP and 45% of the time with GK across the five data sets. The latter result indicated that including the random effect f is still beneficial for increasing prediction ability after adjusting by the random effect u. PMID:27793970
Bayesian Genomic Prediction with Genotype × Environment Interaction Kernel Models
Directory of Open Access Journals (Sweden)
Jaime Cuevas
2017-01-01
Full Text Available The phenomenon of genotype × environment (G × E interaction in plant breeding decreases selection accuracy, thereby negatively affecting genetic gains. Several genomic prediction models incorporating G × E have been recently developed and used in genomic selection of plant breeding programs. Genomic prediction models for assessing multi-environment G × E interaction are extensions of a single-environment model, and have advantages and limitations. In this study, we propose two multi-environment Bayesian genomic models: the first model considers genetic effects ( u that can be assessed by the Kronecker product of variance–covariance matrices of genetic correlations between environments and genomic kernels through markers under two linear kernel methods, linear (genomic best linear unbiased predictors, GBLUP and Gaussian (Gaussian kernel, GK. The other model has the same genetic component as the first model ( u plus an extra component, f, that captures random effects between environments that were not captured by the random effects u . We used five CIMMYT data sets (one maize and four wheat that were previously used in different studies. Results show that models with G × E always have superior prediction ability than single-environment models, and the higher prediction ability of multi-environment models with u and f over the multi-environment model with only u occurred 85% of the time with GBLUP and 45% of the time with GK across the five data sets. The latter result indicated that including the random effect f is still beneficial for increasing prediction ability after adjusting by the random effect u .
Bayesian Genomic Prediction with Genotype × Environment Interaction Kernel Models.
Cuevas, Jaime; Crossa, José; Montesinos-López, Osval A; Burgueño, Juan; Pérez-Rodríguez, Paulino; de Los Campos, Gustavo
2017-01-05
The phenomenon of genotype × environment (G × E) interaction in plant breeding decreases selection accuracy, thereby negatively affecting genetic gains. Several genomic prediction models incorporating G × E have been recently developed and used in genomic selection of plant breeding programs. Genomic prediction models for assessing multi-environment G × E interaction are extensions of a single-environment model, and have advantages and limitations. In this study, we propose two multi-environment Bayesian genomic models: the first model considers genetic effects [Formula: see text] that can be assessed by the Kronecker product of variance-covariance matrices of genetic correlations between environments and genomic kernels through markers under two linear kernel methods, linear (genomic best linear unbiased predictors, GBLUP) and Gaussian (Gaussian kernel, GK). The other model has the same genetic component as the first model [Formula: see text] plus an extra component, F: , that captures random effects between environments that were not captured by the random effects [Formula: see text] We used five CIMMYT data sets (one maize and four wheat) that were previously used in different studies. Results show that models with G × E always have superior prediction ability than single-environment models, and the higher prediction ability of multi-environment models with [Formula: see text] over the multi-environment model with only u occurred 85% of the time with GBLUP and 45% of the time with GK across the five data sets. The latter result indicated that including the random effect f is still beneficial for increasing prediction ability after adjusting by the random effect [Formula: see text]. Copyright © 2017 Cuevas et al.
Prediction of resource volumes at untested locations using simple local prediction models
Attanasi, E.D.; Coburn, T.C.; Freeman, P.A.
2006-01-01
This paper shows how local spatial nonparametric prediction models can be applied to estimate volumes of recoverable gas resources at individual undrilled sites, at multiple sites on a regional scale, and to compute confidence bounds for regional volumes based on the distribution of those estimates. An approach that combines cross-validation, the jackknife, and bootstrap procedures is used to accomplish this task. Simulation experiments show that cross-validation can be applied beneficially to select an appropriate prediction model. The cross-validation procedure worked well for a wide range of different states of nature and levels of information. Jackknife procedures are used to compute individual prediction estimation errors at undrilled locations. The jackknife replicates also are used with a bootstrap resampling procedure to compute confidence bounds for the total volume. The method was applied to data (partitioned into a training set and target set) from the Devonian Antrim Shale continuous-type gas play in the Michigan Basin in Otsego County, Michigan. The analysis showed that the model estimate of total recoverable volumes at prediction sites is within 4 percent of the total observed volume. The model predictions also provide frequency distributions of the cell volumes at the production unit scale. Such distributions are the basis for subsequent economic analyses. ?? Springer Science+Business Media, LLC 2007.
Three-model ensemble wind prediction in southern Italy
Torcasio, Rosa Claudia; Federico, Stefano; Calidonna, Claudia Roberta; Avolio, Elenio; Drofa, Oxana; Landi, Tony Christian; Malguzzi, Piero; Buzzi, Andrea; Bonasoni, Paolo
2016-03-01
Quality of wind prediction is of great importance since a good wind forecast allows the prediction of available wind power, improving the penetration of renewable energies into the energy market. Here, a 1-year (1 December 2012 to 30 November 2013) three-model ensemble (TME) experiment for wind prediction is considered. The models employed, run operationally at National Research Council - Institute of Atmospheric Sciences and Climate (CNR-ISAC), are RAMS (Regional Atmospheric Modelling System), BOLAM (BOlogna Limited Area Model), and MOLOCH (MOdello LOCale in H coordinates). The area considered for the study is southern Italy and the measurements used for the forecast verification are those of the GTS (Global Telecommunication System). Comparison with observations is made every 3 h up to 48 h of forecast lead time. Results show that the three-model ensemble outperforms the forecast of each individual model. The RMSE improvement compared to the best model is between 22 and 30 %, depending on the season. It is also shown that the three-model ensemble outperforms the IFS (Integrated Forecasting System) of the ECMWF (European Centre for Medium-Range Weather Forecast) for the surface wind forecasts. Notably, the three-model ensemble forecast performs better than each unbiased model, showing the added value of the ensemble technique. Finally, the sensitivity of the three-model ensemble RMSE to the length of the training period is analysed.
A novel Bayesian hierarchical model for road safety hotspot prediction.
Fawcett, Lee; Thorpe, Neil; Matthews, Joseph; Kremer, Karsten
2017-02-01
In this paper, we propose a Bayesian hierarchical model for predicting accident counts in future years at sites within a pool of potential road safety hotspots. The aim is to inform road safety practitioners of the location of likely future hotspots to enable a proactive, rather than reactive, approach to road safety scheme implementation. A feature of our model is the ability to rank sites according to their potential to exceed, in some future time period, a threshold accident count which may be used as a criterion for scheme implementation. Our model specification enables the classical empirical Bayes formulation - commonly used in before-and-after studies, wherein accident counts from a single before period are used to estimate counterfactual counts in the after period - to be extended to incorporate counts from multiple time periods. This allows site-specific variations in historical accident counts (e.g. locally-observed trends) to offset estimates of safety generated by a global accident prediction model (APM), which itself is used to help account for the effects of global trend and regression-to-mean (RTM). The Bayesian posterior predictive distribution is exploited to formulate predictions and to properly quantify our uncertainty in these predictions. The main contributions of our model include (i) the ability to allow accident counts from multiple time-points to inform predictions, with counts in more recent years lending more weight to predictions than counts from time-points further in the past; (ii) where appropriate, the ability to offset global estimates of trend by variations in accident counts observed locally, at a site-specific level; and (iii) the ability to account for unknown/unobserved site-specific factors which may affect accident counts. We illustrate our model with an application to accident counts at 734 potential hotspots in the German city of Halle; we also propose some simple diagnostics to validate the predictive capability of our
Stochastic models for predicting pitting corrosion damage of HLRW containers
International Nuclear Information System (INIS)
Henshall, G.A.
1991-10-01
Stochastic models for predicting aqueous pitting corrosion damage of high-level radioactive-waste containers are described. These models could be used to predict the time required for the first pit to penetrate a container and the increase in the number of breaches at later times, both of which would be useful in the repository system performance analysis. Monte Carlo implementations of the stochastic models are described, and predictions of induction time, survival probability and pit depth distributions are presented. These results suggest that the pit nucleation probability decreases with exposure time and that pit growth may be a stochastic process. The advantages and disadvantages of the stochastic approach, methods for modeling the effects of environment, and plans for future work are discussed
Verification and improvement of a predictive model for radionuclide migration
International Nuclear Information System (INIS)
Miller, C.W.; Benson, L.V.; Carnahan, C.L.
1982-01-01
Prediction of the rates of migration of contaminant chemical species in groundwater flowing through toxic waste repositories is essential to the assessment of a repository's capability of meeting standards for release rates. A large number of chemical transport models, of varying degrees of complexity, have been devised for the purpose of providing this predictive capability. In general, the transport of dissolved chemical species through a water-saturated porous medium is influenced by convection, diffusion/dispersion, sorption, formation of complexes in the aqueous phase, and chemical precipitation. The reliability of predictions made with the models which omit certain of these processes is difficult to assess. A numerical model, CHEMTRN, has been developed to determine which chemical processes govern radionuclide migration. CHEMTRN builds on a model called MCCTM developed previously by Lichtner and Benson
Directory of Open Access Journals (Sweden)
Chen C
2014-09-01
Full Text Available Can Chen,1,2,* Ting Wang,1,3,* Fengbo Wu,1,* Wei Huang,4 Gu He,1 Liang Ouyang,1 Mingli Xiang,1 Cheng Peng,4 Qinglin Jiang1,2 1State Key Laboratory of Biotherapy and Department of Pharmacy, West China Hospital, Sichuan University, Chengdu, 2College of Pharmacy and the First Affiliated Hospital, Chengdu Medical College, Chengdu, 3Department of Cardiology, Genenal Hospital of Chengdu Military Command, Chengdu, 4State Key Laboratory Breeding Base of Systematic Research, Development and Utilization of Chinese Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu, People’s Republic of China*These authors contributed equally to this workAbstract: Compared with normal differentiated cells, cancer cells upregulate the expression of pyruvate kinase isozyme M2 (PKM2 to support glycolytic intermediates for anabolic processes, including the synthesis of nucleic acids, amino acids, and lipids. In this study, a combination of the structure-based pharmacophore modeling and a hybrid protocol of virtual screening methods comprised of pharmacophore model-based virtual screening, docking-based virtual screening, and in silico ADMET (absorption, distribution, metabolism, excretion and toxicity analysis were used to retrieve novel PKM2 activators from commercially available chemical databases. Tetrahydroquinoline derivatives were identified as potential scaffolds of PKM2 activators. Thus, the hybrid virtual screening approach was applied to screen the focused tetrahydroquinoline derivatives embedded in the ZINC database. Six hit compounds were selected from the final hits and experimental studies were then performed. Compound 8 displayed a potent inhibitory effect on human lung cancer cells. Following treatment with Compound 8, cell viability, apoptosis, and reactive oxygen species (ROS production were examined in A549 cells. Finally, we evaluated the effects of Compound 8 on mice xenograft tumor models in vivo. These results may provide important
Numerical weather prediction (NWP) and hybrid ARMA/ANN model to predict global radiation
International Nuclear Information System (INIS)
Voyant, Cyril; Muselli, Marc; Paoli, Christophe; Nivet, Marie-Laure
2012-01-01
We propose in this paper an original technique to predict global radiation using a hybrid ARMA/ANN model and data issued from a numerical weather prediction model (NWP). We particularly look at the multi-layer perceptron (MLP). After optimizing our architecture with NWP and endogenous data previously made stationary and using an innovative pre-input layer selection method, we combined it to an ARMA model from a rule based on the analysis of hourly data series. This model has been used to forecast the hourly global radiation for five places in Mediterranean area. Our technique outperforms classical models for all the places. The nRMSE for our hybrid model MLP/ARMA is 14.9% compared to 26.2% for the naïve persistence predictor. Note that in the standalone ANN case the nRMSE is 18.4%. Finally, in order to discuss the reliability of the forecaster outputs, a complementary study concerning the confidence interval of each prediction is proposed. -- Highlights: ► Time series forecasting with hybrid method based on the use of ALADIN numerical weather model, ANN and ARMA. ► Innovative pre-input layer selection method. ► Combination of optimized MLP and ARMA model obtained from a rule based on the analysis of hourly data series. ► Stationarity process (method and control) for the global radiation time series.
Key Questions in Building Defect Prediction Models in Practice
Ramler, Rudolf; Wolfmaier, Klaus; Stauder, Erwin; Kossak, Felix; Natschläger, Thomas
The information about which modules of a future version of a software system are defect-prone is a valuable planning aid for quality managers and testers. Defect prediction promises to indicate these defect-prone modules. However, constructing effective defect prediction models in an industrial setting involves a number of key questions. In this paper we discuss ten key questions identified in context of establishing defect prediction in a large software development project. Seven consecutive versions of the software system have been used to construct and validate defect prediction models for system test planning. Furthermore, the paper presents initial empirical results from the studied project and, by this means, contributes answers to the identified questions.
Hierarchical Neural Regression Models for Customer Churn Prediction
Directory of Open Access Journals (Sweden)
Golshan Mohammadi
2013-01-01
Full Text Available As customers are the main assets of each industry, customer churn prediction is becoming a major task for companies to remain in competition with competitors. In the literature, the better applicability and efficiency of hierarchical data mining techniques has been reported. This paper considers three hierarchical models by combining four different data mining techniques for churn prediction, which are backpropagation artificial neural networks (ANN, self-organizing maps (SOM, alpha-cut fuzzy c-means (α-FCM, and Cox proportional hazards regression model. The hierarchical models are ANN + ANN + Cox, SOM + ANN + Cox, and α-FCM + ANN + Cox. In particular, the first component of the models aims to cluster data in two churner and nonchurner groups and also filter out unrepresentative data or outliers. Then, the clustered data as the outputs are used to assign customers to churner and nonchurner groups by the second technique. Finally, the correctly classified data are used to create Cox proportional hazards model. To evaluate the performance of the hierarchical models, an Iranian mobile dataset is considered. The experimental results show that the hierarchical models outperform the single Cox regression baseline model in terms of prediction accuracy, Types I and II errors, RMSE, and MAD metrics. In addition, the α-FCM + ANN + Cox model significantly performs better than the two other hierarchical models.
Discrete fracture modelling for the Stripa tracer validation experiment predictions
International Nuclear Information System (INIS)
Dershowitz, W.; Wallmann, P.
1992-02-01
Groundwater flow and transport through three-dimensional networks of discrete fractures was modeled to predict the recovery of tracer from tracer injection experiments conducted during phase 3 of the Stripa site characterization and validation protect. Predictions were made on the basis of an updated version of the site scale discrete fracture conceptual model used for flow predictions and preliminary transport modelling. In this model, individual fractures were treated as stochastic features described by probability distributions of geometric and hydrologic properties. Fractures were divided into three populations: Fractures in fracture zones near the drift, non-fracture zone fractures within 31 m of the drift, and fractures in fracture zones over 31 meters from the drift axis. Fractures outside fracture zones are not modelled beyond 31 meters from the drift axis. Transport predictions were produced using the FracMan discrete fracture modelling package for each of five tracer experiments. Output was produced in the seven formats specified by the Stripa task force on fracture flow modelling. (au)
Enhancing pavement performance prediction models for the Illinois Tollway System
Directory of Open Access Journals (Sweden)
Laxmikanth Premkumar
2016-01-01
Full Text Available Accurate pavement performance prediction represents an important role in prioritizing future maintenance and rehabilitation needs, and predicting future pavement condition in a pavement management system. The Illinois State Toll Highway Authority (Tollway with over 2000 lane miles of pavement utilizes the condition rating survey (CRS methodology to rate pavement performance. Pavement performance models developed in the past for the Illinois Department of Transportation (IDOT are used by the Tollway to predict the future condition of its network. The model projects future CRS ratings based on pavement type, thickness, traffic, pavement age and current CRS rating. However, with time and inclusion of newer pavement types there was a need to calibrate the existing pavement performance models, as well as, develop models for newer pavement types.This study presents the results of calibrating the existing models, and developing new models for the various pavement types in the Illinois Tollway network. The predicted future condition of the pavements is used in estimating its remaining service life to failure, which is of immediate use in recommending future maintenance and rehabilitation requirements for the network. Keywords: Pavement performance models, Remaining life, Pavement management
Error analysis in predictive modelling demonstrated on mould data.
Baranyi, József; Csernus, Olívia; Beczner, Judit
2014-01-17
The purpose of this paper was to develop a predictive model for the effect of temperature and water activity on the growth rate of Aspergillus niger and to determine the sources of the error when the model is used for prediction. Parallel mould growth curves, derived from the same spore batch, were generated and fitted to determine their growth rate. The variances of replicate ln(growth-rate) estimates were used to quantify the experimental variability, inherent to the method of determining the growth rate. The environmental variability was quantified by the variance of the respective means of replicates. The idea is analogous to the "within group" and "between groups" variability concepts of ANOVA procedures. A (secondary) model, with temperature and water activity as explanatory variables, was fitted to the natural logarithm of the growth rates determined by the primary model. The model error and the experimental and environmental errors were ranked according to their contribution to the total error of prediction. Our method can readily be applied to analysing the error structure of predictive models of bacterial growth models, too. © 2013.
Robust Model Predictive Control of a Wind Turbine
DEFF Research Database (Denmark)
Mirzaei, Mahmood; Poulsen, Niels Kjølstad; Niemann, Hans Henrik
2012-01-01
In this work the problem of robust model predictive control (robust MPC) of a wind turbine in the full load region is considered. A minimax robust MPC approach is used to tackle the problem. Nonlinear dynamics of the wind turbine are derived by combining blade element momentum (BEM) theory...... of the uncertain system is employed and a norm-bounded uncertainty model is used to formulate a minimax model predictive control. The resulting optimization problem is simplified by semidefinite relaxation and the controller obtained is applied on a full complexity, high fidelity wind turbine model. Finally...... and first principle modeling of the turbine flexible structure. Thereafter the nonlinear model is linearized using Taylor series expansion around system operating points. Operating points are determined by effective wind speed and an extended Kalman filter (EKF) is employed to estimate this. In addition...
Enhancing pavement performance prediction models for the Illinois Tollway System
Laxmikanth Premkumar; William R. Vavrik
2016-01-01
Accurate pavement performance prediction represents an important role in prioritizing future maintenance and rehabilitation needs, and predicting future pavement condition in a pavement management system. The Illinois State Toll Highway Authority (Tollway) with over 2000 lane miles of pavement utilizes the condition rating survey (CRS) methodology to rate pavement performance. Pavement performance models developed in the past for the Illinois Department of Transportation (IDOT) are used by th...
MULTIVARIATE MODEL FOR CORPORATE BANKRUPTCY PREDICTION IN ROMANIA
Daniel BRÎNDESCU – OLARIU
2016-01-01
The current paper proposes a methodology for bankruptcy prediction applicable for Romanian companies. Low bankruptcy frequencies registered in the past have limited the importance of bankruptcy prediction in Romania. The changes in the economic environment brought by the economic crisis, as well as by the entrance in the European Union, make the availability of performing bankruptcy assessment tools more important than ever before. The proposed methodology is centred on a multivariate model, ...
Cloud Based Metalearning System for Predictive Modeling of Biomedical Data
Directory of Open Access Journals (Sweden)
Milan Vukićević
2014-01-01
Full Text Available Rapid growth and storage of biomedical data enabled many opportunities for predictive modeling and improvement of healthcare processes. On the other side analysis of such large amounts of data is a difficult and computationally intensive task for most existing data mining algorithms. This problem is addressed by proposing a cloud based system that integrates metalearning framework for ranking and selection of best predictive algorithms for data at hand and open source big data technologies for analysis of biomedical data.
New tips for structure prediction by comparative modeling
Rayan, Anwar
2009-01-01
Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence iden...
Pulsatile fluidic pump demonstration and predictive model application
International Nuclear Information System (INIS)
Morgan, J.G.; Holland, W.D.
1986-04-01
Pulsatile fluidic pumps were developed as a remotely controlled method of transferring or mixing feed solutions. A test in the Integrated Equipment Test facility demonstrated the performance of a critically safe geometry pump suitable for use in a 0.1-ton/d heavy metal (HM) fuel reprocessing plant. A predictive model was developed to calculate output flows under a wide range of external system conditions. Predictive and experimental flow rates are compared for both submerged and unsubmerged fluidic pump cases
Dedes, I.; Dudek, J.
2018-03-01
We examine the effects of the parametric correlations on the predictive capacities of the theoretical modelling keeping in mind the nuclear structure applications. The main purpose of this work is to illustrate the method of establishing the presence and determining the form of parametric correlations within a model as well as an algorithm of elimination by substitution (see text) of parametric correlations. We examine the effects of the elimination of the parametric correlations on the stabilisation of the model predictions further and further away from the fitting zone. It follows that the choice of the physics case and the selection of the associated model are of secondary importance in this case. Under these circumstances we give priority to the relative simplicity of the underlying mathematical algorithm, provided the model is realistic. Following such criteria, we focus specifically on an important but relatively simple case of doubly magic spherical nuclei. To profit from the algorithmic simplicity we chose working with the phenomenological spherically symmetric Woods–Saxon mean-field. We employ two variants of the underlying Hamiltonian, the traditional one involving both the central and the spin orbit potential in the Woods–Saxon form and the more advanced version with the self-consistent density-dependent spin–orbit interaction. We compare the effects of eliminating of various types of correlations and discuss the improvement of the quality of predictions (‘predictive power’) under realistic parameter adjustment conditions.
Modelling of physical properties - databases, uncertainties and predictive power
DEFF Research Database (Denmark)
Gani, Rafiqul
in the estimated/predicted property values, how to assess the quality and reliability of the estimated/predicted property values? The paper will review a class of models for prediction of physical and thermodynamic properties of organic chemicals and their mixtures based on the combined group contribution – atom......Physical and thermodynamic property in the form of raw data or estimated values for pure compounds and mixtures are important pre-requisites for performing tasks such as, process design, simulation and optimization; computer aided molecular/mixture (product) design; and, product-process analysis...
Directory of Open Access Journals (Sweden)
Ruixian Fang
2016-09-01
Full Text Available This work uses the adjoint sensitivity model of the counter-flow cooling tower derived in the accompanying PART I to obtain the expressions and relative numerical rankings of the sensitivities, to all model parameters, of the following model responses: (i outlet air temperature; (ii outlet water temperature; (iii outlet water mass flow rate; and (iv air outlet relative humidity. These sensitivities are subsequently used within the “predictive modeling for coupled multi-physics systems” (PM_CMPS methodology to obtain explicit formulas for the predicted optimal nominal values for the model responses and parameters, along with reduced predicted standard deviations for the predicted model parameters and responses. These explicit formulas embody the assimilation of experimental data and the “calibration” of the model’s parameters. The results presented in this work demonstrate that the PM_CMPS methodology reduces the predicted standard deviations to values that are smaller than either the computed or the experimentally measured ones, even for responses (e.g., the outlet water flow rate for which no measurements are available. These improvements stem from the global characteristics of the PM_CMPS methodology, which combines all of the available information simultaneously in phase-space, as opposed to combining it sequentially, as in current data assimilation procedures.
Modeling the prediction of business intelligence system effectiveness.
Weng, Sung-Shun; Yang, Ming-Hsien; Koo, Tian-Lih; Hsiao, Pei-I
2016-01-01
Although business intelligence (BI) technologies are continually evolving, the capability to apply BI technologies has become an indispensable resource for enterprises running in today's complex, uncertain and dynamic business environment. This study performed pioneering work by constructing models and rules for the prediction of business intelligence system effectiveness (BISE) in relation to the implementation of BI solutions. For enterprises, effectively managing critical attributes that determine BISE to develop prediction models with a set of rules for self-evaluation of the effectiveness of BI solutions is necessary to improve BI implementation and ensure its success. The main study findings identified the critical prediction indicators of BISE that are important to forecasting BI performance and highlighted five classification and prediction rules of BISE derived from decision tree structures, as well as a refined regression prediction model with four critical prediction indicators constructed by logistic regression analysis that can enable enterprises to improve BISE while effectively managing BI solution implementation and catering to academics to whom theory is important.
International Nuclear Information System (INIS)
Moon, Jin Woo; Yoon, Younju; Jeon, Young-Hoon; Kim, Sooyoung
2017-01-01
Highlights: • Initial ANN model was developed for predicting the time to the setback temperature. • Initial model was optimized for producing accurate output. • Optimized model proved its prediction accuracy. • ANN-based algorithms were developed and tested their performance. • ANN-based algorithms presented superior thermal comfort or energy efficiency. - Abstract: In this study, a temperature control algorithm was developed to apply a setback temperature predictively for the cooling system of a residential building during occupied periods by residents. An artificial neural network (ANN) model was developed to determine the required time for increasing the current indoor temperature to the setback temperature. This study involved three phases: development of the initial ANN-based prediction model, optimization and testing of the initial model, and development and testing of three control algorithms. The development and performance testing of the model and algorithm were conducted using TRNSYS and MATLAB. Through the development and optimization process, the final ANN model employed indoor temperature and the temperature difference between the current and target setback temperature as two input neurons. The optimal number of hidden layers, number of neurons, learning rate, and moment were determined to be 4, 9, 0.6, and 0.9, respectively. The tangent–sigmoid and pure-linear transfer function was used in the hidden and output neurons, respectively. The ANN model used 100 training data sets with sliding-window method for data management. Levenberg-Marquart training method was employed for model training. The optimized model had a prediction accuracy of 0.9097 root mean square errors when compared with the simulated results. Employing the ANN model, ANN-based algorithms maintained indoor temperatures better within target ranges. Compared to the conventional algorithm, the ANN-based algorithms reduced the duration of time, in which the indoor temperature
Improving Saliency Models by Predicting Human Fixation Patches
Dubey, Rachit
2015-04-16
There is growing interest in studying the Human Visual System (HVS) to supplement and improve the performance of computer vision tasks. A major challenge for current visual saliency models is predicting saliency in cluttered scenes (i.e. high false positive rate). In this paper, we propose a fixation patch detector that predicts image patches that contain human fixations with high probability. Our proposed model detects sparse fixation patches with an accuracy of 84 % and eliminates non-fixation patches with an accuracy of 84 % demonstrating that low-level image features can indeed be used to short-list and identify human fixation patches. We then show how these detected fixation patches can be used as saliency priors for popular saliency models, thus, reducing false positives while maintaining true positives. Extensive experimental results show that our proposed approach allows state-of-the-art saliency methods to achieve better prediction performance on benchmark datasets.
Improving Saliency Models by Predicting Human Fixation Patches
Dubey, Rachit; Dave, Akshat; Ghanem, Bernard
2015-01-01
There is growing interest in studying the Human Visual System (HVS) to supplement and improve the performance of computer vision tasks. A major challenge for current visual saliency models is predicting saliency in cluttered scenes (i.e. high false positive rate). In this paper, we propose a fixation patch detector that predicts image patches that contain human fixations with high probability. Our proposed model detects sparse fixation patches with an accuracy of 84 % and eliminates non-fixation patches with an accuracy of 84 % demonstrating that low-level image features can indeed be used to short-list and identify human fixation patches. We then show how these detected fixation patches can be used as saliency priors for popular saliency models, thus, reducing false positives while maintaining true positives. Extensive experimental results show that our proposed approach allows state-of-the-art saliency methods to achieve better prediction performance on benchmark datasets.
Mixing-model Sensitivity to Initial Conditions in Hydrodynamic Predictions
Bigelow, Josiah; Silva, Humberto; Truman, C. Randall; Vorobieff, Peter
2017-11-01
Amagat and Dalton mixing-models were studied to compare their thermodynamic prediction of shock states. Numerical simulations with the Sandia National Laboratories shock hydrodynamic code CTH modeled University of New Mexico (UNM) shock tube laboratory experiments shocking a 1:1 molar mixture of helium (He) and sulfur hexafluoride (SF6) . Five input parameters were varied for sensitivity analysis: driver section pressure, driver section density, test section pressure, test section density, and mixture ratio (mole fraction). We show via incremental Latin hypercube sampling (LHS) analysis that significant differences exist between Amagat and Dalton mixing-model predictions. The differences observed in predicted shock speeds, temperatures, and pressures grow more pronounced with higher shock speeds. Supported by NNSA Grant DE-0002913.
Selection of References in Wind Turbine Model Predictive Control Design
DEFF Research Database (Denmark)
Odgaard, Peter Fogh; Hovgaard, Tobias
2015-01-01
a model predictive controller for a wind turbine. One of the important aspects for a tracking control problem is how to setup the optimal reference tracking problem, as it might be relevant to track, e.g., the three concurrent references: optimal pitch angle, optimal rotational speed, and optimal power......Lowering the cost of energy is one of the major focus areas in the wind turbine industry. Recent research has indicated that wind turbine controllers based on model predictive control methods can be useful in obtaining this objective. A number of design considerations have to be made when designing....... The importance if the individual references differ depending in particular on the wind speed. In this paper we investigate the performance of a reference tracking model predictive controller with two different setups of the used optimal reference signals. The controllers are evaluated using an industrial high...
Initialization and Predictability of a Coupled ENSO Forecast Model
Chen, Dake; Zebiak, Stephen E.; Cane, Mark A.; Busalacchi, Antonio J.
1997-01-01
The skill of a coupled ocean-atmosphere model in predicting ENSO has recently been improved using a new initialization procedure in which initial conditions are obtained from the coupled model, nudged toward observations of wind stress. The previous procedure involved direct insertion of wind stress observations, ignoring model feedback from ocean to atmosphere. The success of the new scheme is attributed to its explicit consideration of ocean-atmosphere coupling and the associated reduction of "initialization shock" and random noise. The so-called spring predictability barrier is eliminated, suggesting that such a barrier is not intrinsic to the real climate system. Initial attempts to generalize the nudging procedure to include SST were not successful; possible explanations are offered. In all experiments forecast skill is found to be much higher for the 1980s than for the 1970s and 1990s, suggesting decadal variations in predictability.
Predicting climate-induced range shifts: model differences and model reliability.
Joshua J. Lawler; Denis White; Ronald P. Neilson; Andrew R. Blaustein
2006-01-01
Predicted changes in the global climate are likely to cause large shifts in the geographic ranges of many plant and animal species. To date, predictions of future range shifts have relied on a variety of modeling approaches with different levels of model accuracy. Using a common data set, we investigated the potential implications of alternative modeling approaches for...
Multivariate statistical models for disruption prediction at ASDEX Upgrade
International Nuclear Information System (INIS)
Aledda, R.; Cannas, B.; Fanni, A.; Sias, G.; Pautasso, G.
2013-01-01
In this paper, a disruption prediction system for ASDEX Upgrade has been proposed that does not require disruption terminated experiments to be implemented. The system consists of a data-based model, which is built using only few input signals coming from successfully terminated pulses. A fault detection and isolation approach has been used, where the prediction is based on the analysis of the residuals of an auto regressive exogenous input model. The prediction performance of the proposed system is encouraging when it is applied to the same set of campaigns used to implement the model. However, the false alarms significantly increase when we tested the system on discharges coming from experimental campaigns temporally far from those used to train the model. This is due to the well know aging effect inherent in the data-based models. The main advantage of the proposed method, with respect to other data-based approaches in literature, is that it does not need data on experiments terminated with a disruption, as it uses a normal operating conditions model. This is a big advantage in the prospective of a prediction system for ITER, where a limited number of disruptions can be allowed
Predicting acid dew point with a semi-empirical model
International Nuclear Information System (INIS)
Xiang, Baixiang; Tang, Bin; Wu, Yuxin; Yang, Hairui; Zhang, Man; Lu, Junfu
2016-01-01
Highlights: • The previous semi-empirical models are systematically studied. • An improved thermodynamic correlation is derived. • A semi-empirical prediction model is proposed. • The proposed semi-empirical model is validated. - Abstract: Decreasing the temperature of exhaust flue gas in boilers is one of the most effective ways to further improve the thermal efficiency, electrostatic precipitator efficiency and to decrease the water consumption of desulfurization tower, while, when this temperature is below the acid dew point, the fouling and corrosion will occur on the heating surfaces in the second pass of boilers. So, the knowledge on accurately predicting the acid dew point is essential. By investigating the previous models on acid dew point prediction, an improved thermodynamic correlation formula between the acid dew point and its influencing factors is derived first. And then, a semi-empirical prediction model is proposed, which is validated with the data both in field test and experiment, and comparing with the previous models.
Scalable Joint Models for Reliable Uncertainty-Aware Event Prediction.
Soleimani, Hossein; Hensman, James; Saria, Suchi
2017-08-21
Missing data and noisy observations pose significant challenges for reliably predicting events from irregularly sampled multivariate time series (longitudinal) data. Imputation methods, which are typically used for completing the data prior to event prediction, lack a principled mechanism to account for the uncertainty due to missingness. Alternatively, state-of-the-art joint modeling techniques can be used for jointly modeling the longitudinal and event data and compute event probabilities conditioned on the longitudinal observations. These approaches, however, make strong parametric assumptions and do not easily scale to multivariate signals with many observations. Our proposed approach consists of several key innovations. First, we develop a flexible and scalable joint model based upon sparse multiple-output Gaussian processes. Unlike state-of-the-art joint models, the proposed model can explain highly challenging structure including non-Gaussian noise while scaling to large data. Second, we derive an optimal policy for predicting events using the distribution of the event occurrence estimated by the joint model. The derived policy trades-off the cost of a delayed detection versus incorrect assessments and abstains from making decisions when the estimated event probability does not satisfy the derived confidence criteria. Experiments on a large dataset show that the proposed framework significantly outperforms state-of-the-art techniques in event prediction.
Data Quality Enhanced Prediction Model for Massive Plant Data
International Nuclear Information System (INIS)
Park, Moon-Ghu; Kang, Seong-Ki; Shin, Hajin
2016-01-01
This paper introduces an integrated signal preconditioning and model prediction mainly by kernel functions. The performance and benefits of the methods are demonstrated by a case study with measurement data from a power plant and its components transient data. The developed methods will be applied as a part of monitoring massive or big data platform where human experts cannot detect the fault behaviors due to too large size of the measurements. Recent extensive efforts for on-line monitoring implementation insists that a big surprise in the modeling for predicting process variables was the extent of data quality problems in measurement data especially for data-driven modeling. Bad data for training will be learned as normal and can make significant degrade in prediction performance. For this reason, the quantity and quality of measurement data in modeling phase need special care. Bad quality data must be removed from training sets to the bad data considered as normal system behavior. This paper presented an integrated structure of supervisory system for monitoring the plants or sensors performance. The quality of the data-driven model is improved with a bilateral kernel filter for preprocessing of the noisy data. The prediction module is also based on kernel regression having the same basis with noise filter. The model structure is optimized by a grouping process with nonlinear Hoeffding correlation function
Data Quality Enhanced Prediction Model for Massive Plant Data
Energy Technology Data Exchange (ETDEWEB)
Park, Moon-Ghu [Nuclear Engr. Sejong Univ., Seoul (Korea, Republic of); Kang, Seong-Ki [Monitoring and Diagnosis, Suwon (Korea, Republic of); Shin, Hajin [Saint Paul Preparatory Seoul, Seoul (Korea, Republic of)
2016-10-15
This paper introduces an integrated signal preconditioning and model prediction mainly by kernel functions. The performance and benefits of the methods are demonstrated by a case study with measurement data from a power plant and its components transient data. The developed methods will be applied as a part of monitoring massive or big data platform where human experts cannot detect the fault behaviors due to too large size of the measurements. Recent extensive efforts for on-line monitoring implementation insists that a big surprise in the modeling for predicting process variables was the extent of data quality problems in measurement data especially for data-driven modeling. Bad data for training will be learned as normal and can make significant degrade in prediction performance. For this reason, the quantity and quality of measurement data in modeling phase need special care. Bad quality data must be removed from training sets to the bad data considered as normal system behavior. This paper presented an integrated structure of supervisory system for monitoring the plants or sensors performance. The quality of the data-driven model is improved with a bilateral kernel filter for preprocessing of the noisy data. The prediction module is also based on kernel regression having the same basis with noise filter. The model structure is optimized by a grouping process with nonlinear Hoeffding correlation function.
Predictive modeling of mosquito abundance and dengue transmission in Kenya
Caldwell, J.; Krystosik, A.; Mutuku, F.; Ndenga, B.; LaBeaud, D.; Mordecai, E.
2017-12-01
Approximately 390 million people are exposed to dengue virus every year, and with no widely available treatments or vaccines, predictive models of disease risk are valuable tools for vector control and disease prevention. The aim of this study was to modify and improve climate-driven predictive models of dengue vector abundance (Aedes spp. mosquitoes) and viral transmission to people in Kenya. We simulated disease transmission using a temperature-driven mechanistic model and compared model predictions with vector trap data for larvae, pupae, and adult mosquitoes collected between 2014 and 2017 at four sites across urban and rural villages in Kenya. We tested predictive capacity of our models using four temperature measurements (minimum, maximum, range, and anomalies) across daily, weekly, and monthly time scales. Our results indicate seasonal temperature variation is a key driving factor of Aedes mosquito abundance and disease transmission. These models can help vector control programs target specific locations and times when vectors are likely to be present, and can be modified for other Aedes-transmitted diseases and arboviral endemic regions around the world.
Relative sensitivity analysis of the predictive properties of sloppy models.
Myasnikova, Ekaterina; Spirov, Alexander
2018-01-25
Commonly among the model parameters characterizing complex biological systems are those that do not significantly influence the quality of the fit to experimental data, so-called "sloppy" parameters. The sloppiness can be mathematically expressed through saturating response functions (Hill's, sigmoid) thereby embodying biological mechanisms responsible for the system robustness to external perturbations. However, if a sloppy model is used for the prediction of the system behavior at the altered input (e.g. knock out mutations, natural expression variability), it may demonstrate the poor predictive power due to the ambiguity in the parameter estimates. We introduce a method of the predictive power evaluation under the parameter estimation uncertainty, Relative Sensitivity Analysis. The prediction problem is addressed in the context of gene circuit models describing the dynamics of segmentation gene expression in Drosophila embryo. Gene regulation in these models is introduced by a saturating sigmoid function of the concentrations of the regulatory gene products. We show how our approach can be applied to characterize the essential difference between the sensitivity properties of robust and non-robust solutions and select among the existing solutions those providing the correct system behavior at any reasonable input. In general, the method allows to uncover the sources of incorrect predictions and proposes the way to overcome the estimation uncertainties.
Interpreting Disruption Prediction Models to Improve Plasma Control
Parsons, Matthew
2017-10-01
In order for the tokamak to be a feasible design for a fusion reactor, it is necessary to minimize damage to the machine caused by plasma disruptions. Accurately predicting disruptions is a critical capability for triggering any mitigative actions, and a modest amount of attention has been given to efforts that employ machine learning techniques to make these predictions. By monitoring diagnostic signals during a discharge, such predictive models look for signs that the plasma is about to disrupt. Typically these predictive models are interpreted simply to give a `yes' or `no' response as to whether a disruption is approaching. However, it is possible to extract further information from these models to indicate which input signals are more strongly correlated with the plasma approaching a disruption. If highly accurate predictive models can be developed, this information could be used in plasma control schemes to make better decisions about disruption avoidance. This work was supported by a Grant from the 2016-2017 Fulbright U.S. Student Program, administered by the Franco-American Fulbright Commission in France.
Sahle, Berhe W; Owen, Alice J; Chin, Ken Lee; Reid, Christopher M
2017-09-01
Numerous models predicting the risk of incident heart failure (HF) have been developed; however, evidence of their methodological rigor and reporting remains unclear. This study critically appraises the methods underpinning incident HF risk prediction models. EMBASE and PubMed were searched for articles published between 1990 and June 2016 that reported at least 1 multivariable model for prediction of HF. Model development information, including study design, variable coding, missing data, and predictor selection, was extracted. Nineteen studies reporting 40 risk prediction models were included. Existing models have acceptable discriminative ability (C-statistics > 0.70), although only 6 models were externally validated. Candidate variable selection was based on statistical significance from a univariate screening in 11 models, whereas it was unclear in 12 models. Continuous predictors were retained in 16 models, whereas it was unclear how continuous variables were handled in 16 models. Missing values were excluded in 19 of 23 models that reported missing data, and the number of events per variable was models. Only 2 models presented recommended regression equations. There was significant heterogeneity in discriminative ability of models with respect to age (P prediction models that had sufficient discriminative ability, although few are externally validated. Methods not recommended for the conduct and reporting of risk prediction modeling were frequently used, and resulting algorithms should be applied with caution. Copyright © 2017 Elsevier Inc. All rights reserved.
New Temperature-based Models for Predicting Global Solar Radiation
International Nuclear Information System (INIS)
Hassan, Gasser E.; Youssef, M. Elsayed; Mohamed, Zahraa E.; Ali, Mohamed A.; Hanafy, Ahmed A.
2016-01-01
Highlights: • New temperature-based models for estimating solar radiation are investigated. • The models are validated against 20-years measured data of global solar radiation. • The new temperature-based model shows the best performance for coastal sites. • The new temperature-based model is more accurate than the sunshine-based models. • The new model is highly applicable with weather temperature forecast techniques. - Abstract: This study presents new ambient-temperature-based models for estimating global solar radiation as alternatives to the widely used sunshine-based models owing to the unavailability of sunshine data at all locations around the world. Seventeen new temperature-based models are established, validated and compared with other three models proposed in the literature (the Annandale, Allen and Goodin models) to estimate the monthly average daily global solar radiation on a horizontal surface. These models are developed using a 20-year measured dataset of global solar radiation for the case study location (Lat. 30°51′N and long. 29°34′E), and then, the general formulae of the newly suggested models are examined for ten different locations around Egypt. Moreover, the local formulae for the models are established and validated for two coastal locations where the general formulae give inaccurate predictions. Mostly common statistical errors are utilized to evaluate the performance of these models and identify the most accurate model. The obtained results show that the local formula for the most accurate new model provides good predictions for global solar radiation at different locations, especially at coastal sites. Moreover, the local and general formulas of the most accurate temperature-based model also perform better than the two most accurate sunshine-based models from the literature. The quick and accurate estimations of the global solar radiation using this approach can be employed in the design and evaluation of performance for
Predicting turns in proteins with a unified model.
Directory of Open Access Journals (Sweden)
Qi Song
Full Text Available MOTIVATION: Turns are a critical element of the structure of a protein; turns play a crucial role in loops, folds, and interactions. Current prediction methods are well developed for the prediction of individual turn types, including α-turn, β-turn, and γ-turn, etc. However, for further protein structure and function prediction it is necessary to develop a uniform model that can accurately predict all types of turns simultaneously. RESULTS: In this study, we present a novel approach, TurnP, which offers the ability to investigate all the turns in a protein based on a unified model. The main characteristics of TurnP are: (i using newly exploited features of structural evolution information (secondary structure and shape string of protein based on structure homologies, (ii considering all types of turns in a unified model, and (iii practical capability of accurate prediction of all turns simultaneously for a query. TurnP utilizes predicted secondary structures and predicted shape strings, both of which have greater accuracy, based on innovative technologies which were both developed by our group. Then, sequence and structural evolution features, which are profile of sequence, profile of secondary structures and profile of shape strings are generated by sequence and structure alignment. When TurnP was validated on a non-redundant dataset (4,107 entries by five-fold cross-validation, we achieved an accuracy of 88.8% and a sensitivity of 71.8%, which exceeded the most state-of-the-art predictors of certain type of turn. Newly determined sequences, the EVA and CASP9 datasets were used as independent tests and the results we achieved were outstanding for turn predictions and confirmed the good performance of TurnP for practical applications.
FIRE BEHAVIOR PREDICTING MODELS EFFICIENCY IN BRAZILIAN COMMERCIAL EUCALYPT PLANTATIONS
Directory of Open Access Journals (Sweden)
Benjamin Leonardo Alves White
2016-12-01
Full Text Available Knowing how a wildfire will behave is extremely important in order to assist in fire suppression and prevention operations. Since the 1940’s mathematical models to estimate how the fire will behave have been developed worldwide, however, none of them, until now, had their efficiency tested in Brazilian commercial eucalypt plantations nor in other vegetation types in the country. This study aims to verify the accuracy of the Rothermel (1972 fire spread model, the Byram (1959 flame length model, and the fire spread and length equations derived from the McArthur (1962 control burn meters. To meet these objectives, 105 experimental laboratory fires were done and their results compared with the predicted values from the models tested. The Rothermel and Byram models predicted better than McArthur’s, nevertheless, all of them underestimated the fire behavior aspects evaluated and were statistically different from the experimental data.
Babcock and Wilcox model for predicting in-reactor densification
International Nuclear Information System (INIS)
Buescher, B.J.; Pegram, J.W.
1975-06-01
The B and W fuel densification model is used to describe the extent and kinetics of in-reactor densification in B and W production fuel. The model and approach are qualified against an extensive data base available through B and W's participation in the EEI Fuel Densification Program. Out-of-reactor resintering tests on representative pellets from each batch of fuel are used to provide input parameters to the B and W densification model. The B and W densification model predicts in-reactor densification very accurately for pellets operated at heat rates above 5 kW/ft and with considerable conservation for pellets operated at heat rates less than 5 kW/ft. This model represents a technically rigorous and conservative basis for predicting the extent and kinetics of in-reactor densification. 9 references. (U.S.)
4K Video Traffic Prediction using Seasonal Autoregressive Modeling
Directory of Open Access Journals (Sweden)
D. R. Marković
2017-06-01
Full Text Available From the perspective of average viewer, high definition video streams such as HD (High Definition and UHD (Ultra HD are increasing their internet presence year over year. This is not surprising, having in mind expansion of HD streaming services, such as YouTube, Netflix etc. Therefore, high definition video streams are starting to challenge network resource allocation with their bandwidth requirements and statistical characteristics. Need for analysis and modeling of this demanding video traffic has essential importance for better quality of service and experience support. In this paper we use an easy-to-apply statistical model for prediction of 4K video traffic. Namely, seasonal autoregressive modeling is applied in prediction of 4K video traffic, encoded with HEVC (High Efficiency Video Coding. Analysis and modeling were performed within R programming environment using over 17.000 high definition video frames. It is shown that the proposed methodology provides good accuracy in high definition video traffic modeling.
PVT characterization and viscosity modeling and prediction of crude oils
DEFF Research Database (Denmark)
Cisneros, Eduardo Salvador P.; Dalberg, Anders; Stenby, Erling Halfdan
2004-01-01
In previous works, the general, one-parameter friction theory (f-theory), models have been applied to the accurate viscosity modeling of reservoir fluids. As a base, the f-theory approach requires a compositional characterization procedure for the application of an equation of state (EOS), in most...... pressure, is also presented. The combination of the mass characterization scheme presented in this work and the f-theory, can also deliver accurate viscosity modeling results. Additionally, depending on how extensive the compositional characterization is, the approach,presented in this work may also...... deliver accurate viscosity predictions. The modeling approach presented in this work can deliver accurate viscosity and density modeling and prediction results over wide ranges of reservoir conditions, including the compositional changes induced by recovery processes such as gas injection....
Modeling and prediction of flotation performance using support vector regression
Directory of Open Access Journals (Sweden)
Despotović Vladimir
2017-01-01
Full Text Available Continuous efforts have been made in recent year to improve the process of paper recycling, as it is of critical importance for saving the wood, water and energy resources. Flotation deinking is considered to be one of the key methods for separation of ink particles from the cellulose fibres. Attempts to model the flotation deinking process have often resulted in complex models that are difficult to implement and use. In this paper a model for prediction of flotation performance based on Support Vector Regression (SVR, is presented. Representative data samples were created in laboratory, under a variety of practical control variables for the flotation deinking process, including different reagents, pH values and flotation residence time. Predictive model was created that was trained on these data samples, and the flotation performance was assessed showing that Support Vector Regression is a promising method even when dataset used for training the model is limited.
Model Predictive Control Algorithms for Pen and Pump Insulin Administration
DEFF Research Database (Denmark)
Boiroux, Dimitri
at mealtime, and the case where the insulin sensitivity increases during the night. This thesis consists of a summary report, glucose and insulin proles of the clinical studies and research papers submitted, peer-reviewed and/or published in the period September 2009 - September 2012....... of current closed-loop controllers. In this thesis, we present different control strategies based on Model Predictive Control (MPC) for an artificial pancreas. We use Nonlinear Model Predictive Control (NMPC) in order to determine the optimal insulin and blood glucose profiles. The optimal control problem...
Maxent modelling for predicting the potential distribution of Thai Palms
DEFF Research Database (Denmark)
Tovaranonte, Jantrararuk; Barfod, Anders S.; Overgaard, Anne Blach
2011-01-01
on presence data. The aim was to identify potential hot spot areas, assess the determinants of palm distribution ranges, and provide a firmer knowledge base for future conservation actions. We focused on a relatively small number of climatic, environmental and spatial variables in order to avoid...... overprediction of species distribution ranges. The models with the best predictive power were found by calculating the area under the curve (AUC) of receiver-operating characteristic (ROC). Here, we provide examples of contrasting predicted species distribution ranges as well as a map of modeled palm diversity...
Model predictive control for a thermostatic controlled system
DEFF Research Database (Denmark)
Shafiei, Seyed Ehsan; Rasmussen, Henrik; Stoustrup, Jakob
2013-01-01
This paper proposes a model predictive control scheme to provide temperature set-points to thermostatic controlled cooling units in refrigeration systems. The control problem is formulated as a convex programming problem to minimize the overall operating cost of the system. The foodstuff temperat......This paper proposes a model predictive control scheme to provide temperature set-points to thermostatic controlled cooling units in refrigeration systems. The control problem is formulated as a convex programming problem to minimize the overall operating cost of the system. The foodstuff...
Predictive models for conversion of prediabetes to diabetes.
Yokota, N; Miyakoshi, T; Sato, Y; Nakasone, Y; Yamashita, K; Imai, T; Hirabayashi, K; Koike, H; Yamauchi, K; Aizawa, T
2017-08-01
To clarify the natural course of prediabetes and develop predictive models for conversion to diabetes. A retrospective longitudinal study of 2105 adults with prediabetes was carried out with a mean observation period of 4.7years. Models were developed using multivariate logistic regression analysis and verified by 10-fold cross-validation. The relationship between [final BMI minus baseline BMI] (δBMI) and incident diabetes was analyzed post hoc by comparing the diabetes conversion rate for low (Prediabetes conversion to diabetes could be predicted with accuracy, and weight reduction during the observation was associated with lowered conversion rate. Copyright © 2017 Elsevier Inc. All rights reserved.
Evaluating the reliability of predictions made using environmental transfer models
International Nuclear Information System (INIS)
1989-01-01
The development and application of mathematical models for predicting the consequences of releases of radionuclides into the environment from normal operations in the nuclear fuel cycle and in hypothetical accident conditions has increased dramatically in the last two decades. This Safety Practice publication has been prepared to provide guidance on the available methods for evaluating the reliability of environmental transfer model predictions. It provides a practical introduction of the subject and a particular emphasis has been given to worked examples in the text. It is intended to supplement existing IAEA publications on environmental assessment methodology. 60 refs, 17 figs, 12 tabs
A predictive model of music preference using pairwise comparisons
DEFF Research Database (Denmark)
Jensen, Bjørn Sand; Gallego, Javier Saez; Larsen, Jan
2012-01-01
Music recommendation is an important aspect of many streaming services and multi-media systems, however, it is typically based on so-called collaborative filtering methods. In this paper we consider the recommendation task from a personal viewpoint and examine to which degree music preference can...... be elicited and predicted using simple and robust queries such as pairwise comparisons. We propose to model - and in turn predict - the pairwise music preference using a very flexible model based on Gaussian Process priors for which we describe the required inference. We further propose a specific covariance...
Improved Modeling and Prediction of Surface Wave Amplitudes
2017-05-31
AFRL-RV-PS- AFRL-RV-PS- TR-2017-0162 TR-2017-0162 IMPROVED MODELING AND PREDICTION OF SURFACE WAVE AMPLITUDES Jeffry L. Stevens, et al. Leidos...data does not license the holder or any other person or corporation; or convey any rights or permission to manufacture, use, or sell any patented...SUBTITLE Improved Modeling and Prediction of Surface Wave Amplitudes 5a. CONTRACT NUMBER FA9453-14-C-0225 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER
Model Predictive Control with Constraints of a Wind Turbine
DEFF Research Database (Denmark)
Henriksen, Lars Christian; Poulsen, Niels Kjølstad
2007-01-01
Model predictive control of wind turbines offer a more systematic approach of constructing controllers that handle constraints while focusing on the main control objective. In this article several controllers are designed for different wind conditions and appropriate switching conditions ensure a...... an efficient control of the wind turbine over the entire range of wind speeds. Both onshore and floating offshore wind turbines are tested with the controllers.......Model predictive control of wind turbines offer a more systematic approach of constructing controllers that handle constraints while focusing on the main control objective. In this article several controllers are designed for different wind conditions and appropriate switching conditions ensure...
Predicted and measured velocity distribution in a model heat exchanger
International Nuclear Information System (INIS)
Rhodes, D.B.; Carlucci, L.N.
1984-01-01
This paper presents a comparison between numerical predictions, using the porous media concept, and measurements of the two-dimensional isothermal shell-side velocity distributions in a model heat exchanger. Computations and measurements were done with and without tubes present in the model. The effect of tube-to-baffle leakage was also investigated. The comparison was made to validate certain porous media concepts used in a computer code being developed to predict the detailed shell-side flow in a wide range of shell-and-tube heat exchanger geometries
Ensemble ecosystem modeling for predicting ecosystem response to predator reintroduction.
Baker, Christopher M; Gordon, Ascelin; Bode, Michael
2017-04-01
Introducing a new or extirpated species to an ecosystem is risky, and managers need quantitative methods that can predict the consequences for the recipient ecosystem. Proponents of keystone predator reintroductions commonly argue that the presence of the predator will restore ecosystem function, but this has not always been the case, and mathematical modeling has an important role to play in predicting how reintroductions will likely play out. We devised an ensemble modeling method that integrates species interaction networks and dynamic community simulations and used it to describe the range of plausible consequences of 2 keystone-predator reintroductions: wolves (Canis lupus) to Yellowstone National Park and dingoes (Canis dingo) to a national park in Australia. Although previous methods for predicting ecosystem responses to such interventions focused on predicting changes around a given equilibrium, we used Lotka-Volterra equations to predict changing abundances through time. We applied our method to interaction networks for wolves in Yellowstone National Park and for dingoes in Australia. Our model replicated the observed dynamics in Yellowstone National Park and produced a larger range of potential outcomes for the dingo network. However, we also found that changes in small vertebrates or invertebrates gave a good indication about the potential future state of the system. Our method allowed us to predict when the systems were far from equilibrium. Our results showed that the method can also be used to predict which species may increase or decrease following a reintroduction and can identify species that are important to monitor (i.e., species whose changes in abundance give extra insight into broad changes in the system). Ensemble ecosystem modeling can also be applied to assess the ecosystem-wide implications of other types of interventions including assisted migration, biocontrol, and invasive species eradication. © 2016 Society for Conservation Biology.
Using Deep Learning Model for Meteorological Satellite Cloud Image Prediction
Su, X.
2017-12-01
A satellite cloud image contains much weather information such as precipitation information. Short-time cloud movement forecast is important for precipitation forecast and is the primary means for typhoon monitoring. The traditional methods are mostly using the cloud feature matching and linear extrapolation to predict the cloud movement, which makes that the nonstationary process such as inversion and deformation during the movement of the cloud is basically not considered. It is still a hard task to predict cloud movement timely and correctly. As deep learning model could perform well in learning spatiotemporal features, to meet this challenge, we could regard cloud image prediction as a spatiotemporal sequence forecasting problem and introduce deep learning model to solve this problem. In this research, we use a variant of Gated-Recurrent-Unit(GRU) that has convolutional structures to deal with spatiotemporal features and build an end-to-end model to solve this forecast problem. In this model, both the input and output are spatiotemporal sequences. Compared to Convolutional LSTM(ConvLSTM) model, this model has lower amount of parameters. We imply this model on GOES satellite data and the model perform well.
New tips for structure prediction by comparative modeling
Rayan, Anwar
2009-01-01
Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence identity and model quality, we carried out an analysis of a set of 4753 sequence and structure alignments. Throughout this research, the model accuracy was measured by root mean square deviations of Cα atoms of the target-template structures. Surprisingly, the results show that sequence identity of the target protein to the template is not a good descriptor to predict the accuracy of the 3-D structure model. However, in a large number of cases, comparative modelling with lower sequence identity of target to template proteins led to more accurate 3-D structure model. As a consequence of this study, we suggest new tips for improving the quality of omparative models, particularly for models whose target-template sequence identity is below 50%. PMID:19255646
Candido Dos Reis, Francisco J; Wishart, Gordon C; Dicks, Ed M; Greenberg, David; Rashbass, Jem; Schmidt, Marjanka K; van den Broek, Alexandra J; Ellis, Ian O; Green, Andrew; Rakha, Emad; Maishman, Tom; Eccles, Diana M; Pharoah, Paul D P
2017-05-22
PREDICT is a breast cancer prognostic and treatment benefit model implemented online. The overall fit of the model has been good in multiple independent case series, but PREDICT has been shown to underestimate breast cancer specific mortality in women diagnosed under the age of 40. Another limitation is the use of discrete categories for tumour size and node status resulting in 'step' changes in risk estimates on moving between categories. We have refitted the PREDICT prognostic model using the original cohort of cases from East Anglia with updated survival time in order to take into account age at diagnosis and to smooth out the survival function for tumour size and node status. Multivariable Cox regression models were used to fit separate models for ER negative and ER positive disease. Continuous variables were fitted using fractional polynomials and a smoothed baseline hazard was obtained by regressing the baseline cumulative hazard for each patients against time using fractional polynomials. The fit of the prognostic models were then tested in three independent data sets that had also been used to validate the original version of PREDICT. In the model fitting data, after adjusting for other prognostic variables, there is an increase in risk of breast cancer specific mortality in younger and older patients with ER positive disease, with a substantial increase in risk for women diagnosed before the age of 35. In ER negative disease the risk increases slightly with age. The association between breast cancer specific mortality and both tumour size and number of positive nodes was non-linear with a more marked increase in risk with increasing size and increasing number of nodes in ER positive disease. The overall calibration and discrimination of the new version of PREDICT (v2) was good and comparable to that of the previous version in both model development and validation data sets. However, the calibration of v2 improved over v1 in patients diagnosed under the age
Predicting Power Outages Using Multi-Model Ensemble Forecasts
Cerrai, D.; Anagnostou, E. N.; Yang, J.; Astitha, M.
2017-12-01
Power outages affect every year millions of people in the United States, affecting the economy and conditioning the everyday life. An Outage Prediction Model (OPM) has been developed at the University of Connecticut for helping utilities to quickly restore outages and to limit their adverse consequences on the population. The OPM, operational since 2015, combines several non-parametric machine learning (ML) models that use historical weather storm simulations and high-resolution weather forecasts, satellite remote sensing data, and infrastructure and land cover data to predict the number and spatial distribution of power outages. A new methodology, developed for improving the outage model performances by combining weather- and soil-related variables using three different weather models (WRF 3.7, WRF 3.8 and RAMS/ICLAMS), will be presented in this study. First, we will present a performance evaluation of each model variable, by comparing historical weather analyses with station data or reanalysis over the entire storm data set. Hence, each variable of the new outage model version is extracted from the best performing weather model for that variable, and sensitivity tests are performed for investigating the most efficient variable combination for outage prediction purposes. Despite that the final variables combination is extracted from different weather models, this ensemble based on multi-weather forcing and multi-statistical model power outage prediction outperforms the currently operational OPM version that is based on a single weather forcing variable (WRF 3.7), because each model component is the closest to the actual atmospheric state.
Koffmann, Andrew
2017-03-02
Early change in psychotherapy predicts outcome. Seven studies have used growth mixture modeling [GMM; Muthén, B. (2001). Second-generation structural equation modeling with a combination of categorical and continuous latent variables: New opportunities for latent class-latent growth modeling. In L. M. Collins & A. G. Sawyers (Eds.), New methods for the analysis of change (pp. 291-322). Washington, DC: American Psychological Association] to identify patient classes based on early change but have yielded conflicting results. Here, we review the earlier studies and apply GMM to a new data set. In a university-based training clinic, 251 patients were administered the Outcome Questionnaire-45 [Lambert, M. J., Hansen, N. B., Umphress, V., Lunnen, K., Okiishi, J., Burlingame, G., … Reisinger, C. W. (1996). Administration and scoring manual for the Outcome Questionnaire (OQ 45.2). Wilmington, DE: American Professional Credentialing Services] at each psychotherapy session. We used GMM to identify class structure based on change in the first six sessions and examined trajectories as predictors of outcome. The sample was best described as a single class. There was no evidence of autoregressive trends in the data. We achieved better fit to the data by permitting latent variables some degree of kurtosis, rather than to assume multivariate normality. Treatment outcome was predicted by the amount of early improvement, regardless of initial level of distress. The presence of sudden early gains or losses did not further improve outcome prediction. Early improvement is an easily computed, powerful predictor of psychotherapy outcome. The use of GMM to investigate the relationship between change and outcome is technically complex and computationally intensive. To date, it has not been particularly informative.
Mathematical modelling methodologies in predictive food microbiology: a SWOT analysis.
Ferrer, Jordi; Prats, Clara; López, Daniel; Vives-Rego, Josep
2009-08-31
Predictive microbiology is the area of food microbiology that attempts to forecast the quantitative evolution of microbial populations over time. This is achieved to a great extent through models that include the mechanisms governing population dynamics. Traditionally, the models used in predictive microbiology are whole-system continuous models that describe population dynamics by means of equations applied to extensive or averaged variables of the whole system. Many existing models can be classified by specific criteria. We can distinguish between survival and growth models by seeing whether they tackle mortality or cell duplication. We can distinguish between empirical (phenomenological) models, which mathematically describe specific behaviour, and theoretical (mechanistic) models with a biological basis, which search for the underlying mechanisms driving already observed phenomena. We can also distinguish between primary, secondary and tertiary models, by examining their treatment of the effects of external factors and constraints on the microbial community. Recently, the use of spatially explicit Individual-based Models (IbMs) has spread through predictive microbiology, due to the current technological capacity of performing measurements on single individual cells and thanks to the consolidation of computational modelling. Spatially explicit IbMs are bottom-up approaches to microbial communities that build bridges between the description of micro-organisms at the cell level and macroscopic observations at the population level. They provide greater insight into the mesoscale phenomena that link unicellular and population levels. Every model is built in response to a particular question and with different aims. Even so, in this research we conducted a SWOT (Strength, Weaknesses, Opportunities and Threats) analysis of the different approaches (population continuous modelling and Individual-based Modelling), which we hope will be helpful for current and future
A disaggregate model to predict the intercity travel demand
Energy Technology Data Exchange (ETDEWEB)
Damodaran, S.
1988-01-01
This study was directed towards developing disaggregate models to predict the intercity travel demand in Canada. A conceptual framework for the intercity travel behavior was proposed; under this framework, a nested multinomial model structure that combined mode choice and trip generation was developed. The CTS (Canadian Travel Survey) data base was used for testing the structure and to determine the viability of using this data base for intercity travel-demand prediction. Mode-choice and trip-generation models were calibrated for four modes (auto, bus, rail and air) for both business and non-business trips. The models were linked through the inclusive value variable, also referred to as the long sum of the denominator in the literature. Results of the study indicated that the structure used in this study could be applied for intercity travel-demand modeling. However, some limitations of the data base were identified. It is believed that, with some modifications, the CTS data could be used for predicting intercity travel demand. Future research can identify the factors affecting intercity travel behavior, which will facilitate collection of useful data for intercity travel prediction and policy analysis.
Neural Network Modeling to Predict Shelf Life of Greenhouse Lettuce
Directory of Open Access Journals (Sweden)
Wei-Chin Lin
2009-04-01
Full Text Available Greenhouse-grown butter lettuce (Lactuca sativa L. can potentially be stored for 21 days at constant 0°C. When storage temperature was increased to 5°C or 10°C, shelf life was shortened to 14 or 10 days, respectively, in our previous observations. Also, commercial shelf life of 7 to 10 days is common, due to postharvest temperature fluctuations. The objective of this study was to establish neural network (NN models to predict the remaining shelf life (RSL under fluctuating postharvest temperatures. A box of 12 - 24 lettuce heads constituted a sample unit. The end of the shelf life of each head was determined when it showed initial signs of decay or yellowing. Air temperatures inside a shipping box were recorded. Daily average temperatures in storage and averaged shelf life of each box were used as inputs, and the RSL was modeled as an output. An R2 of 0.57 could be observed when a simple NN structure was employed. Since the "future" (or remaining storage temperatures were unavailable at the time of making a prediction, a second NN model was introduced to accommodate a range of future temperatures and associated shelf lives. Using such 2-stage NN models, an R2 of 0.61 could be achieved for predicting RSL. This study indicated that NN modeling has potential for cold chain quality control and shelf life prediction.
Integrated predictive modelling simulations of burning plasma experiment designs
International Nuclear Information System (INIS)
Bateman, Glenn; Onjun, Thawatchai; Kritz, Arnold H
2003-01-01
Models for the height of the pedestal at the edge of H-mode plasmas (Onjun T et al 2002 Phys. Plasmas 9 5018) are used together with the Multi-Mode core transport model (Bateman G et al 1998 Phys. Plasmas 5 1793) in the BALDUR integrated predictive modelling code to predict the performance of the ITER (Aymar A et al 2002 Plasma Phys. Control. Fusion 44 519), FIRE (Meade D M et al 2001 Fusion Technol. 39 336), and IGNITOR (Coppi B et al 2001 Nucl. Fusion 41 1253) fusion reactor designs. The simulation protocol used in this paper is tested by comparing predicted temperature and density profiles against experimental data from 33 H-mode discharges in the JET (Rebut P H et al 1985 Nucl. Fusion 25 1011) and DIII-D (Luxon J L et al 1985 Fusion Technol. 8 441) tokamaks. The sensitivities of the predictions are evaluated for the burning plasma experimental designs by using variations of the pedestal temperature model that are one standard deviation above and below the standard model. Simulations of the fusion reactor designs are carried out for scans in which the plasma density and auxiliary heating power are varied
A new, accurate predictive model for incident hypertension.
Völzke, Henry; Fung, Glenn; Ittermann, Till; Yu, Shipeng; Baumeister, Sebastian E; Dörr, Marcus; Lieb, Wolfgang; Völker, Uwe; Linneberg, Allan; Jørgensen, Torben; Felix, Stephan B; Rettig, Rainer; Rao, Bharat; Kroemer, Heyo K
2013-11-01
Data mining represents an alternative approach to identify new predictors of multifactorial diseases. This work aimed at building an accurate predictive model for incident hypertension using data mining procedures. The primary study population consisted of 1605 normotensive individuals aged 20-79 years with 5-year follow-up from the population-based study, that is the Study of Health in Pomerania (SHIP). The initial set was randomly split into a training and a testing set. We used a probabilistic graphical model applying a Bayesian network to create a predictive model for incident hypertension and compared the predictive performance with the established Framingham risk score for hypertension. Finally, the model was validated in 2887 participants from INTER99, a Danish community-based intervention study. In the training set of SHIP data, the Bayesian network used a small subset of relevant baseline features including age, mean arterial pressure, rs16998073, serum glucose and urinary albumin concentrations. Furthermore, we detected relevant interactions between age and serum glucose as well as between rs16998073 and urinary albumin concentrations [area under the receiver operating characteristic (AUC 0.76)]. The model was confirmed in the SHIP validation set (AUC 0.78) and externally replicated in INTER99 (AUC 0.77). Compared to the established Framingham risk score for hypertension, the predictive performance of the new model was similar in the SHIP validation set and moderately better in INTER99. Data mining procedures identified a predictive model for incident hypertension, which included innovative and easy-to-measure variables. The findings promise great applicability in screening settings and clinical practice.
Predictive model for survival in patients with gastric cancer.
Goshayeshi, Ladan; Hoseini, Benyamin; Yousefli, Zahra; Khooie, Alireza; Etminani, Kobra; Esmaeilzadeh, Abbas; Golabpour, Amin
2017-12-01
Gastric cancer is one of the most prevalent cancers in the world. Characterized by poor prognosis, it is a frequent cause of cancer in Iran. The aim of the study was to design a predictive model of survival time for patients suffering from gastric cancer. This was a historical cohort conducted between 2011 and 2016. Study population were 277 patients suffering from gastric cancer. Data were gathered from the Iranian Cancer Registry and the laboratory of Emam Reza Hospital in Mashhad, Iran. Patients or their relatives underwent interviews where it was needed. Missing values were imputed by data mining techniques. Fifteen factors were analyzed. Survival was addressed as a dependent variable. Then, the predictive model was designed by combining both genetic algorithm and logistic regression. Matlab 2014 software was used to combine them. Of the 277 patients, only survival of 80 patients was available whose data were used for designing the predictive model. Mean ?SD of missing values for each patient was 4.43?.41 combined predictive model achieved 72.57% accuracy. Sex, birth year, age at diagnosis time, age at diagnosis time of patients' family, family history of gastric cancer, and family history of other gastrointestinal cancers were six parameters associated with patient survival. The study revealed that imputing missing values by data mining techniques have a good accuracy. And it also revealed six parameters extracted by genetic algorithm effect on the survival of patients with gastric cancer. Our combined predictive model, with a good accuracy, is appropriate to forecast the survival of patients suffering from Gastric cancer. So, we suggest policy makers and specialists to apply it for prediction of patients' survival.